Merge pull request #1054 from liangjg/wmp_v1.0

Accommodate the new WMP Library

docs/source/io_formats/data_wmp.rst

@@ -5,7 +5,7 @@ Windowed Multipole Library Format
 =================================
 
 **/version** (*char[]*)
-  The format version of the file.  The current version is "v0.2"
+  The format version of the file.  The current version is "v1.0"
 
 **/nuclide/**
     - **broaden_poly** (*int[]*)
@@ -23,55 +23,25 @@ Windowed Multipole Library Format
             \text{data}[:,i] = [\text{pole},~\text{residue}_1,~\text{residue}_2,
             ~\ldots]
 
-        The residues are in the order: total, competitive if present,
-        absorption, fission. Complex numbers are stored by forming a type with
-        ":math:`r`" and ":math:`i`" identifiers, similar to how `h5py`_ does it.
-    - **end_E** (*double*)
+        The residues are in the order: scattering, absorption, fission. Complex
+        numbers are stored by forming a type with ":math:`r`" and ":math:`i`"
+        identifiers, similar to how `h5py`_ does it.
+    - **E_max** (*double*)
         Highest energy the windowed multipole part of the library is valid for.
-    - **formalism** (*int*)
-        The formalism of the underlying data. Uses the `ENDF-6`_ format
-        formalism numbers.
-        
-        .. table:: Table of supported formalisms.
-        
-            +-------------+------------------+
-            | Formalism   | Formalism number |
-            +=============+==================+
-            | MLBW        | 2                |
-            +-------------+------------------+
-            | Reich-Moore | 3                |
-            +-------------+------------------+
-        
-    - **l_value** (*int[]*)
-        The index for a corresponding pole. Equivalent to the :math:`l` quantum
-        number of the resonance the pole comes from :math:`+1`.
-    - **pseudo_K0RS** (*double[]*)
-        :math:`l` dependent value of
-
-        .. math::
-            \sqrt{\frac{2 m_n}{\hbar}}\frac{AWR}{AWR + 1} r_{s,l}
-
-        Where :math:`m_n` is mass of neutron, :math:`AWR` is the atomic weight
-        ratio of the target to the neutron, and :math:`r_{s,l}` is the
-        scattering radius for a given :math:`l`.
+    - **E_min** (*double*)
+        Lowest energy the windowed multipole part of the library is valid for.
     - **spacing** (*double*)
         .. math::
-            \frac{\sqrt{E_{max}}- \sqrt{E_{min}}}{n_w}
+            \frac{\sqrt{E_{max}} - \sqrt{E_{min}}}{n_w}
 
-        Where :math:`E_{max}` is the maximum energy the windows go up to.  This
-        is not equivalent to the maximum energy for which the windowed multipole
-        data is valid for.  It is slightly higher to ensure an integer number of
-        windows. :math:`E_{min}` is the minimum energy and equivalent to
-        ``start_E``, and :math:`n_w` is the number of windows, given by
-        ``windows``.
+        Where :math:`E_{max}` is the maximum energy the windows go up to.
+        :math:`E_{min}` is the minimum energy, and :math:`n_w` is the number of
+        windows, given by ``windows``.
     - **sqrtAWR** (*double*)
         Square root of the atomic weight ratio.
-    - **start_E** (*double*)
-        Lowest energy the windowed multipole part of the library is valid for.
-    - **w_start** (*int[]*)
-        The pole to start from for each window.
-    - **w_end** (*int[]*)
-        The pole to end at for each window.
+    - **windows** (*int[][]*)
+        The poles to start from and end at for each window. windows[i, 0] and
+        windows[i, 1] are, respectively, the indexes (1-based) of the first and
+        last pole in window i.
 
 .. _h5py: http://docs.h5py.org/en/latest/
-.. _ENDF-6: https://www.oecd-nea.org/dbdata/data/manual-endf/endf102.pdf

docs/source/methods/cross_sections.rst

@@ -90,7 +90,7 @@ Assuming free-gas thermal motion, cross sections in the multipole form can be
 analytically Doppler broadened to give the form:
 
 .. math::
-   \sigma(E, T) = \frac{1}{2 E \sqrt{\xi}} \sum_j \text{Re} \left[i r_j
+   \sigma(E, T) = \frac{1}{2 E \sqrt{\xi}} \sum_j \text{Re} \left[r_j
    \sqrt{\pi} W_i(z) - \frac{r_j}{\sqrt{\pi}} C \left(\frac{p_j}{\sqrt{\xi}},
    \frac{u}{2 \sqrt{\xi}}\right)\right]
 .. math::
@@ -141,7 +141,7 @@ scattering does not occur in the resolved resonance region.  This is usually,
 but not always the case.  Future library versions may eliminate this issue.
 
 The data format used by OpenMC to represent windowed multipole data is specified
-in :ref:`io_data_wmp`.
+in :ref:`io_data_wmp` with a publicly available `WMP library`_.
 
 .. _temperature_treatment:
 
@@ -270,6 +270,7 @@ or even isotropic scattering.
    https://laws.lanl.gov/vhosts/mcnp.lanl.gov/pdf_files/la-ur-14-24530.pdf
 .. _Hwang: http://www.ans.org/pubs/journals/nse/a_16381
 .. _Josey: http://dx.doi.org/10.1016/j.jcp.2015.08.013
+.. _WMP Library: https://github.com/mit-crpg/WMP_Library
 .. _MCNP: http://mcnp.lanl.gov
 .. _Serpent: http://montecarlo.vtt.fi
 .. _NJOY: http://t2.lanl.gov/codes.shtml