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12
docs/source/usersguide/install.rst
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@ -141,16 +141,10 @@ Prerequisites
recommend that your HDF5 installation be built with parallel I/O
features. An example of configuring HDF5_ is listed below::
FC=mpifort ./configure --enable-fortran --enable-parallel
FC=mpifort ./configure --enable-parallel
You may omit ``--enable-parallel`` if you want to compile HDF5_ in serial.
.. important::
If you are building HDF5 version 1.8.x or earlier, you must include
``--enable-fortran2003`` when configuring HDF5 or else OpenMC will not
be able to compile.
.. admonition:: Optional
:class: note
@ -416,7 +410,9 @@ Prerequisites
The Python API works with Python 3.4+. In addition to Python itself, the API
relies on a number of third-party packages. All prerequisites can be installed
using Conda_ (recommended), pip_, or through the package manager in most Linux
distributions.
distributions. To run simulations in parallel using MPI, it is recommended to
build mpi4py, HDF5, h5py from source, in that order, using the same compilers
as for OpenMC.
.. admonition:: Required
:class: error

14
docs/source/usersguide/materials.rst
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@ -43,14 +43,22 @@ of an element, you specify the element itself. For example,
Internally, OpenMC stores data on the atomic masses and natural abundances of
all known isotopes and then uses this data to determine what isotopes should be
added to the material. When the material is later exported to XML for use by the
:ref:`scripts_openmc` executable, you'll see that any natural elements are
:ref:`scripts_openmc` executable, you'll see that any natural elements were
expanded to the naturally-occurring isotopes.
The :meth:`Material.add_element` method can also be used to add uranium at a
specified enrichment through the `enrichment` argument. For example, the
following would add 3.2% enriched uranium to a material::
mat.add_element('U', 1.0, enrichment=3.2)
In addition to U235 and U238, concentrations of U234 and U236 will be present
and are determined through a correlation based on measured data.
Often, cross section libraries don't actually have all naturally-occurring
isotopes for a given element. For example, in ENDF/B-VII.1, cross section
evaluations are given for O16 and O17 but not for O18. If OpenMC is aware of
what cross sections you will be using (either through the
:attr:`Materials.cross_sections` attribute or the
what cross sections you will be using (through the
:envvar:`OPENMC_CROSS_SECTIONS` environment variable), it will attempt to only
put isotopes in your model for which you have cross section data. In the case of
oxygen in ENDF/B-VII.1, the abundance of O18 would end up being lumped with O16.

67
docs/source/usersguide/tallies.rst
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@ -21,7 +21,12 @@ region of phase space, as in:
Thus, to specify a tally, we need to specify what regions of phase space should
be included when deciding whether to score an event as well as what the scoring
function (:math:`f` in the above equation) should be used. The regions of phase
space are called *filters* and the scoring functions are simply called *scores*.
space are generally called *filters* and the scoring functions are simply
called *scores*.
The only cases when filters do not correspond directly with the regions of
phase space are when expansion functions are applied in the integrand, such as
for Legendre expansions of the scattering kernel.
-------
Filters
@ -69,10 +74,9 @@ Scores
------
To specify the scoring functions, a list of strings needs to be given to the
:attr:`Tally.scores` attribute. You can score the flux ('flux'), a reaction rate
('total', 'fission', etc.), or even scattering moments (e.g., 'scatter-P3'). For
example, to tally the elastic scattering rate and the fission neutron
production, you'd assign::
:attr:`Tally.scores` attribute. You can score the flux ('flux'), or a reaction
rate ('total', 'fission', etc.). For example, to tally the elastic scattering
rate and the fission neutron production, you'd assign::
tally.scores = ['elastic', 'nu-fission']
@ -98,12 +102,6 @@ The following tables show all valid scores:
+======================+===================================================+
|flux |Total flux. |
+----------------------+---------------------------------------------------+
|flux-YN |Spherical harmonic expansion of the direction of |
| |motion :math:`\left(\Omega\right)` of the total |
| |flux. This score will tally all of the harmonic |
| |moments of order 0 to N. N must be between 0 and |
| |10. |
+----------------------+---------------------------------------------------+
.. table:: **Reaction scores: units are reactions per source particle.**
@ -118,43 +116,10 @@ The following tables show all valid scores:
+----------------------+---------------------------------------------------+
|fission |Total fission reaction rate. |
+----------------------+---------------------------------------------------+
|scatter |Total scattering rate. Can also be identified with |
| |the "scatter-0" response type. |
+----------------------+---------------------------------------------------+
|scatter-N |Tally the N\ :sup:`th` \ scattering moment, where N|
| |is the Legendre expansion order of the change in |
| |particle angle :math:`\left(\mu\right)`. N must be |
| |between 0 and 10. As an example, tallying the 2\ |
| |:sup:`nd` \ scattering moment would be specified as|
| |``<scores>scatter-2</scores>``. |
+----------------------+---------------------------------------------------+
|scatter-PN |Tally all of the scattering moments from order 0 to|
| |N, where N is the Legendre expansion order of the |
| |change in particle angle |
| |:math:`\left(\mu\right)`. That is, "scatter-P1" is |
| |equivalent to requesting tallies of "scatter-0" and|
| |"scatter-1". Like for "scatter-N", N must be |
| |between 0 and 10. As an example, tallying up to the|
| |2\ :sup:`nd` \ scattering moment would be specified|
| |as ``<scores> scatter-P2 </scores>``. |
+----------------------+---------------------------------------------------+
|scatter-YN |"scatter-YN" is similar to "scatter-PN" except an |
| |additional expansion is performed for the incoming |
| |particle direction :math:`\left(\Omega\right)` |
| |using the real spherical harmonics. This is useful|
| |for performing angular flux moment weighting of the|
| |scattering moments. Like "scatter-PN", "scatter-YN"|
| |will tally all of the moments from order 0 to N; N |
| |again must be between 0 and 10. |
|scatter |Total scattering rate. |
+----------------------+---------------------------------------------------+
|total |Total reaction rate. |
+----------------------+---------------------------------------------------+
|total-YN |The total reaction rate expanded via spherical |
| |harmonics about the direction of motion of the |
| |neutron, :math:`\Omega`. This score will tally all |
| |of the harmonic moments of order 0 to N. N must be|
| |between 0 and 10. |
+----------------------+---------------------------------------------------+
|(n,2nd) |(n,2nd) reaction rate. |
+----------------------+---------------------------------------------------+
|(n,2n) |(n,2n) reaction rate. |
@ -248,10 +213,10 @@ The following tables show all valid scores:
+----------------------+---------------------------------------------------+
|nu-fission |Total production of neutrons due to fission. |
+----------------------+---------------------------------------------------+
|nu-scatter, |These scores are similar in functionality to their |
|nu-scatter-N, |``scatter*`` equivalents except the total |
|nu-scatter-PN, |production of neutrons due to scattering is scored |
|nu-scatter-YN |vice simply the scattering rate. This accounts for |
|nu-scatter, |This score is similar in functionality to the |
| |``scatter`` score except the total production of |
| |neutrons due to scattering is scored vice simply |
| |the scattering rate. This accounts for |
| |multiplicity from (n,2n), (n,3n), and (n,4n) |
| |reactions. |
+----------------------+---------------------------------------------------+
@ -261,7 +226,7 @@ The following tables show all valid scores:
+----------------------+---------------------------------------------------+
|Score | Description |
+======================+===================================================+
|current |Used in combination with a mesh filter: |
|current |Used in combination with a meshsurface filter: |
| |Partial currents on the boundaries of each cell in |
| |a mesh. It may not be used in conjunction with any |
| |other score. Only energy and mesh filters may be |
@ -269,7 +234,7 @@ The following tables show all valid scores:
| |Used in combination with a surface filter: |
| |Net currents on any surface previously defined in |
| |the geometry. It may be used along with any other |
| |filter, except mesh filters. |
| |filter, except meshsurface filters. |
| |Surfaces can alternatively be defined with cell |
| |from and cell filters thereby resulting in tallying|
| |partial currents. |