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Merge remote-tracking branch 'upstream/develop' into search
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Adam Nelson
commit
5c7230d506
15 changed files with 153 additions and 124 deletions
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@ -37,9 +37,8 @@ In order to be considered suitable for inclusion in the *develop* branch, the
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following criteria must be satisfied for all proposed changes:
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- Changes have a clear purpose and are useful.
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- Compiles under all conditions (MPI, OpenMP, HDF5, etc.). This is checked as
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part of the test suite.
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- Passes the regression suite.
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- Compiles and passes the regression suite with all configurations (This is
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checked by Travis CI).
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- If appropriate, test cases are added to regression suite.
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- No memory leaks (checked with valgrind_).
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- Conforms to the OpenMC `style guide`_.
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@ -81,8 +80,7 @@ features and bug fixes. The general steps for contributing are as follows:
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At a minimum, you should describe what the changes you've made are and why
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you are making them. If the changes are related to an oustanding issue, make
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sure it is cross-referenced. A wise developer would also check whether their
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changes do indeed pass the regression test suite.
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sure it is cross-referenced.
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5. A trusted developer will review your pull request based on the criteria
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above. Any issues with the pull request can be discussed directly on the pull
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@ -104,7 +102,7 @@ full OpenMC code is executed. Results from simulations are compared with
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expected results. The test suite is comprised of many build configurations
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(e.g. debug, mpi, hdf5) and the actual tests which reside in sub-directories
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in the tests directory. We recommend to developers to test their branches
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before submitting a formal pull request using gfortran and intel compilers
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before submitting a formal pull request using gfortran and Intel compilers
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if available.
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The test suite is designed to integrate with cmake using ctest_.
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@ -113,9 +111,9 @@ download these cross sections please do the following:
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.. code-block:: sh
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cd ../data
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python get_nndc_data.py
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export CROSS_SECTIONS=<path_to_data_folder>/nndc/cross_sections.xml
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cd ../scripts
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./openmc-get-nndc-data
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export OPENMC_CROSS_SECTIONS=<path_to_data_folder>/nndc_hdf5/cross_sections.xml
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The test suite can be run on an already existing build using:
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@ -137,21 +135,29 @@ more control over which tests are executed.
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Before running the test suite python script, the following environmental
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variables should be set if the default paths are incorrect:
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* **FC** - The command of the Fortran compiler (e.g. gfotran, ifort).
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* **FC** - The command for a Fortran compiler (e.g. gfotran, ifort).
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* Default - *gfortran*
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* **CC** - The command for a C compiler (e.g. gcc, icc).
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* Default - *gcc*
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* **CXX** - The command for a C++ compiler (e.g. g++, icpc).
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* Default - *g++*
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* **MPI_DIR** - The path to the MPI directory.
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* Default - */opt/mpich/3.1.3-gnu*
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* Default - */opt/mpich/3.2-gnu*
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* **HDF5_DIR** - The path to the HDF5 directory.
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* Default - */opt/hdf5/1.8.14-gnu*
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* Default - */opt/hdf5/1.8.16-gnu*
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* **PHDF5_DIR** - The path to the parallel HDF5 directory.
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* Default - */opt/phdf5/1.8.14-gnu*
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* Default - */opt/phdf5/1.8.16-gnu*
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To run the full test suite, the following command can be executed in the
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tests directory:
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@ -192,15 +198,12 @@ a test you need to add the following files to your new test directory,
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*test_name* for example:
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* OpenMC input XML files
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* **test_name.py** - python test driver script, please refer to other
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* **test_name.py** - Python test driver script, please refer to other
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tests to see how to construct. Any output files that are generated
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during testing must be removed at the end of this script.
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* **results.py** - python script that extracts results from statepoint
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output files. By default it should look for a binary file, but can
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take an argument to overwrite which statepoint file is processed,
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whether it is at a different batch or with an HDF5 extension. This
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script must output a results file that is named *results_test.dat*.
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It is recommended that any real numbers reported use *12.6E* format.
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* **inputs_true.dat** - ASCII file that contains Python API-generated XML
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files concatenated together. When the test is run, inputs that are
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generated are compared to this file.
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* **results_true.dat** - ASCII file that contains the expected results
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from the test. The file *results_test.dat* is compared to this file
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during the execution of the python test driver script. When the
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@ -183,45 +183,43 @@ Multi-Group Data
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The data governing the interaction of particles with various nuclei or materials
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are represented using a multi-group library format specific to the OpenMC code.
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The format is described in the :ref:`mgxs_lib_spec`.
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The data itself can be prepared via traditional paths or directly from a
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continuous-energy OpenMC calculation by use of the Python API as is shown in the
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:ref:`notebook_mgxs_part_iv` example notebook. This multi-group
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library consists of meta-data (such as the energy group structure) and multiple
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`xsdata` objects which contains the required microscopic or macroscopic
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multi-group data.
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The format is described in the :ref:`mgxs_lib_spec`. The data itself can be
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prepared via traditional paths or directly from a continuous-energy OpenMC
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calculation by use of the Python API as is shown in the
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:ref:`notebook_mg_mode_part_i` example notebook. This multi-group library
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consists of meta-data (such as the energy group structure) and multiple `xsdata`
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objects which contains the required microscopic or macroscopic multi-group data.
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At a minimum, the library must contain the absorption cross section
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(:math:`\sigma_{a,g}`) and a scattering matrix. If the problem is an eigenvalue
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problem then all fissionable materials must also contain either
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a fission production matrix cross section
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(:math:`\nu\sigma_{f,g\rightarrow g'}`), or
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both the fission spectrum data (:math:`\chi_{g'}`) and a fission production
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cross section (:math:`\nu\sigma_{f,g}`), or, . The library must also contain
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the fission cross section (:math:`\sigma_{f,g}`) or the fission energy release
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cross section (:math:`\kappa\sigma_{f,g}`) if the associated tallies are
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required by the model using the library.
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problem then all fissionable materials must also contain either a fission
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production matrix cross section (:math:`\nu\sigma_{f,g\rightarrow g'}`), or both
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the fission spectrum data (:math:`\chi_{g'}`) and a fission production cross
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section (:math:`\nu\sigma_{f,g}`), or, . The library must also contain the
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fission cross section (:math:`\sigma_{f,g}`) or the fission energy release cross
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section (:math:`\kappa\sigma_{f,g}`) if the associated tallies are required by
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the model using the library.
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After a scattering collision, the outgoing particle experiences a change in both
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energy and angle. The probability of a particle resulting in a given outgoing
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energy group (`g'`) given a certain incoming energy group (`g`) is provided
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by the scattering matrix data. The angular information can be expressed either
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via Legendre expansion of the particle's change-in-angle (:math:`\mu`), a
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tabular representation of the probability distribution function of :math:`\mu`,
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or a histogram representation of the same PDF. The formats used to
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represent these are described in the :ref:`mgxs_lib_spec`.
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energy group (`g'`) given a certain incoming energy group (`g`) is provided by
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the scattering matrix data. The angular information can be expressed either via
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Legendre expansion of the particle's change-in-angle (:math:`\mu`), a tabular
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representation of the probability distribution function of :math:`\mu`, or a
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histogram representation of the same PDF. The formats used to represent these
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are described in the :ref:`mgxs_lib_spec`.
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Unlike the continuous-energy mode, the multi-group mode does not explicitly
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track particles produced from scattering multiplication (i.e., :math:`(n,xn)`)
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reactions. These are instead accounted for by adjusting the weight of the
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particle after the collision such that the correct total weight is maintained.
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The weight adjustment factor is optionally provided by the `multiplicity` data
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which is required to be provided in the form of a group-wise matrix.
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This data is provided as a group-wise matrix since the probability of producing
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multiple particles in a scattering reaction depends on both the incoming energy,
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`g`, and the sampled outgoing energy, `g'`. This data represents the average
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number of particles emitted from a scattering reaction, given a scattering
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reaction has occurred:
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which is required to be provided in the form of a group-wise matrix. This data
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is provided as a group-wise matrix since the probability of producing multiple
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particles in a scattering reaction depends on both the incoming energy, `g`, and
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the sampled outgoing energy, `g'`. This data represents the average number of
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particles emitted from a scattering reaction, given a scattering reaction has
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occurred:
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.. math::
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@ -135,6 +135,7 @@ Constructing Tallies
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openmc.EnergyFunctionFilter
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openmc.Mesh
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openmc.Trigger
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openmc.TallyDerivative
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openmc.Tally
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openmc.Tallies
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@ -483,6 +484,28 @@ Functions
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openmc.data.endf.get_tab2_record
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openmc.data.endf.get_text_record
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---------------------------------------------------------
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:mod:`openmc.openmoc_compatible` -- OpenMOC Compatibility
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---------------------------------------------------------
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.. autosummary::
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:toctree: generated
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:nosignatures:
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:template: myfunction.rst
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openmc.openmoc_compatible.get_openmoc_material
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openmc.openmoc_compatible.get_openmc_material
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openmc.openmoc_compatible.get_openmoc_surface
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openmc.openmoc_compatible.get_openmc_surface
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openmc.openmoc_compatible.get_openmoc_cell
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openmc.openmoc_compatible.get_openmc_cell
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openmc.openmoc_compatible.get_openmoc_universe
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openmc.openmoc_compatible.get_openmc_universe
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openmc.openmoc_compatible.get_openmoc_lattice
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openmc.openmoc_compatible.get_openmc_lattice
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openmc.openmoc_compatible.get_openmoc_geometry
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openmc.openmoc_compatible.get_openmc_geometry
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.. _Jupyter: https://jupyter.org/
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.. _NumPy: http://www.numpy.org/
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.. _Codecademy: https://www.codecademy.com/tracks/python
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@ -1,8 +0,0 @@
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.. _pythonapi_openmoc_compatible:
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=====================
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OpenMOC Compatibility
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=====================
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.. automodule:: openmc.openmoc_compatible
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:members:
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@ -87,6 +87,22 @@ be validated using the following command:
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/opt/openmc/bin/openmc-validate-xml
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--------------
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Physical Units
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--------------
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Unless specified otherwise, all length quantities are assumed to be in units of
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centimeters, all energy quantities are assumed to be in electronvolts, and all
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time quantities are assumed to be in seconds.
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======= ============ ======
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Measure Default unit Symbol
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======= ============ ======
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length centimeter cm
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energy electronvolt eV
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time second s
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======= ============ ======
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--------------------------------------
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Settings Specification -- settings.xml
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--------------------------------------
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