22 Nov 22:22

27e38e8

OpenMC 0.15.3 Latest

Latest

This release of OpenMC includes many bug fixes, performance improvements, and several notable new features. The major highlights of this release include a new openmc.deplete.R2SManager class that automates the workflow for rigorous 2-step (R2S) shutdown dose rate calculations, the ability to collect higher moments for tally results that can be used to test normality, a new uncertainty-aware criticality search method, a new collision tracking feature that enables detailed tracking of particle interactions, support for distributed cell densities, and several new tally filters. The random ray solver also continues to receive significant updates, including automatic setup capabilities, improved geometry handling, and better weight window support. Depletion capabilities have been expanded with thermochemical redox control, external transfer rates, and improved performance.

Compatibility Notes and Deprecations

MCPL has been changed from a build-time dependency to a runtime optional dependency, which means OpenMC will attempt to load the MCPL library at runtime when needed rather than requiring it at build time.

The openmc.mgxs.Library.add_to_tallies_file method has been renamed to openmc.mgxs.Library.add_to_tallies.

New Features

A new collision tracking feature enables detailed tracking of particle interactions (#3417)
Added openmc.Model.keff_search method for automated criticality searches (#3569)
Introduced automated workflow for mesh- or cell-based R2S calculations (#3508)
Ability to source electron/positrons directly for charged particle simulations (#3404)
Multi-group capability for kinetics parameter calculations with Iterated Fission Probability (#3425)
Introduced a new openmc.MeshMaterialFilter class (#3406)
Added support for distributed cell densities (#3546)
Implemented a openmc.WeightWindowsList class that enables export to HDF5 (#3456)
Added openmc.Material.mean_free_path method (#3469)
Introduced openmc.lib.TemporarySession context manager (#3475)
Added material depletion function for tracking individual material depletion (#3420)
Added methods on openmc.Material class for waste disposal rating / classification (#3366, #3376)
Support for thermochemical redox control transfer rates in depletion (#2783)
Support for external transfer rates source term in depletion (#3088)
Added combing capability for fission site sampling and delayed neutron emission time (#2992)
Ability to specify reference direction for azimuthal angle in openmc.stats.PolarAzimuthal distribution (#3582)
Allow spatial constraints on element sources within openmc.MeshSource (#3431)
Added VTK HDF (.vtkhdf) format support for writing VTK data (#3252)
Implemented filter weight capability (#3345)
Optionally collect higher moments for tallies (#3363)
Several random ray solver enhancements:
- Random Ray AutoMagic Setup for automatic configuration (#3351)
- Point source locator for random ray mode (#3360)
- Support for DAGMC geometries (#3374)
- Optimized mapping of source regions to tallies (#3465)
- Base source region refactor (#3576)

Bug Fixes and Small Changes

Add two MPI barriers in R2S workflow (#3646)
Fix a few warnings, rename add_to_tallies_file (#3639)
Fix typo in DAGMC lost particle test (#3634)
Avoid multiprocessing Pool when running depletion tests with MPI (#3633)
Support MPI parallelism in R2SManager (#3632)
Update documentation for particle tracks (#3627)
Adding variance of variance and normality tests for tally statistics (#3454)
Avoid divide-by-zero in from_multigroup_flux when flux is zero (#3624)
Write particle states as separate lines in track VTK files (#3628)
Reset DAGMC history when reviving from source (#3601)
Add energy group structure: SCALE-999 (#3564)
Fix bug in normalization of tally results with no_reduce (#3619)
Enable nuclide filters with get_decay_photon_energy (#3614)
Update check_type calls to accept both str and os.PathLike objects (#3618)
Speed up apply_time_correction by reducing file I/O and deepcopies (#3617)
FW-CADIS Disregard Max Realizations Setting (#3616)
Random Ray Geometry Debug Mode Fix (#3615)
Don't write reaction rates in depletion results by default (#3609)
Allow Path objects in MGXSLibrary.export_to_hdf5 (#3608)
Clip mixture distributions based on mean times integral (#3603)
Allow V0 in atomic_mass function (for ENDF/B-VII.0 data) (#3607)
Re-run flaky tests when needed (#3604)
Ability to load mesh objects from weight_windows.h5 file (#3598)
Switch to using coveralls github action for reporting (#3594)
Add user setting for free gas threshold (#3593)
Speed up time correction factors (#3592)
Fix caching issue when using NCrystal materials (#3538)
Fix random ray source region mesh export when using model.export_to_xml() (#3579)
Ensure weight_windows_file information is read from XML (#3587)
Add missing documentation on <source> in depletion chain file format (#3590)
Adding tally filter type option to statepoint get_tally (#3584)
Optional separation of mesh-material-volume calc from get_homogenized_materials (#3581)
Fix IFP implementation (#3580)
Remove several TODOs related to C++17 support (#3574)
Fix performance regression in libMesh unstructured mesh tallies (#3577)
Update find_package calls in OpenMCConfig.cmake (#3572)
Ensure n_dimension_ attribute is set for unstructured meshes (#3575)
Allow newer Sphinx version and fix docbuild warnings (#3571)
Fixed a bug when combining TimeFilter, MeshFilter, and tracklength estimator (#3525)
PowerLaw raises an error if sampling interval contains negative values (#3542)
depletion: fix performance of chain matrix construction (#3567)
Do not apply boundary conditions when initialized in volume calculation mode (#3562)
Bump up tolerance for flaky activation test (#3560)
Fixed a bug in plotting cross sections with S(a,b) data (#3558)
Change test order to run unit tests first (#3533)
adding ecco 33 (#3556)
Refactor endf_data to be a fixture (#3539)
Revert "fix broken CI" (#3554)
fix broken CI (#3551)
Leverage particle.move_distance in event advance (#3544)
fix tests that accidentaly got broken (#3543)
not printing nuclides with 0 percent to terminal (option 2 ) (#3448)
Fix a bug in time cutoff behavior (#3526)
Avoid duplicate materials written to XML (#3536)
Use cached property for openmc.data.Decay.sources (#3535)
more helpful error message for dose_coefficients (#3534)
Adding 616 group structure (#3531)
Remove unused special accessors for tallies (#3527)
Consistent XML parsing using functions from _xml module (#3517)
Add stat:sum field to MCPL files for proper weight normalization (#3522)
Remove reorder_attributes from openmc._xml (#3519)
fixed a bug in MeshMaterialFilter.from_volumes (#3520)
Fixed a bug in distribcell offsets logic (#3424)
Add test for FW-CADIS based WW generation on a DAGMC model (#3504)
Fix for Weight Window Scaling Bug (#3511)
Fix: materials, plots, and tallies cannot be passed as lists (#3513)
Allow already-initialized openmc.lib in TemporarySession (#3505)
Update DAGMC and libMesh precompiler definitions (#3510)
Avoid adding ParentNuclideFilter twice when calling prepare_tallies (#3506)
Enabling MCPL source files to be read when using surf_source_read (#3472)
Boundary info accessors (#3496)
automatically finding appropriate dimension when making regular mesh from domain (#3468)
Add accessor methods for LocalCoord (#3494)
Make MCPL a Runtime Optional Dependency (#3429)
Use auto-chunking for StepResult HDF5 writing (#3498)
Provide a way to get ID maps from plot parameters on the Model class (#3481)
Update OSX install instructions to point to x64 platform (#3501)
Update conda install instructions for macOS Apple silicon (#3488)
Only show warning if in restart mode (#3478)
Add flag to CMakeLists to use submodules instead of searching (#3480)
Added citation metadata file (#3409)
fix zam parsing (#3484)
Support flux collapse method in get_microxs_and_flux (#3466)
Stabilize Adjoint Source (#3476)
Refactor and Harden Configuration Management (#3461)
Updated Docs to Not Give Specific Python Version Requirement (#3473)
Parallelization of Weight Window Update (#3467)
Limit Random Ray Weight Window Generation to Final Batch (#3464)
Fix Dockerfile DAGMC build (#3463)
Fix Weight Window Infinite Loop Bug (#3457)
Weight Window Birth Scaling (#3459)
Adding checks to geometry.plot to avoid material name overlaps (#3458)
Fixing crash when calling Geometry.plot when DAGMCUniverse in geometry (#3455)
fixing expansion of elemental Ta bug (#3443)
Prevent Adjoint Sources from Trending towards Infinity (#3449)
adding plot function to DAGMCUnvierse (#3451)
Allow specifying number of equiprobable angles for thermal scattering data generation (#3346)
Change Dockerfile from debian:bookworm-slim to ubuntu:24.04 (#3442)
Fix Resetting of Auto IDs When Generating MGXS (#3437)
Allowing chain_file to be chain object to save reloading time (#3436)
update units for flux (#3441)
Fix raytrace infinite loop (#3423)
Apply Max Number of Events Check to Random Rays (#3438)
Add user setting for source rejection fraction (#3433)
Adding fix and tests for spherical mesh as spatial distribution (#3428)
Random Ray Missed Cell Policy Change for Adjoint Mode (#3434)
Random Ray External Source Plotting Fix (#3430)
Avoid negative heating values during pair production and bremsstrahlung (#3426)
Fix no serialization of periodic_surface_id bug (#3421)
Update _get_start_data to always grab the beginning of timestep time (#3414)
Fixed a bug in charged particle energy deposition (#3416)
Fix bug where the same mesh is...

Assets 2

19 Mar 17:06

paulromano

v0.15.2

e23760b

OpenMC 0.15.2

This is a hotfix release to fix an MPI-related bug that was inadvertently introduced in the prior release.

Bug Fixes and Small Changes

Remove errant openmc.Settings.random_ray check and removed of not useful warning in MG mode (#3344)
Throw an error if a spherical harmonics order larger than 10 is provided. (#3354)
Correcting the size of the displacement list in the SourceSite MPI interface object (#3356)

Assets 2

07 Mar 20:52

paulromano

v0.15.1

906548d

OpenMC 0.15.1

This release of OpenMC includes many bug fixes, performance improvements, and several notable new features. The random ray solver continues to receives many updates and improvements, which are listed below in more detail. A new openmc.SolidRayTracePlot class has been added that enables attractive 3D visualization using Phong shading. Several composite surfaces have been introduced (which help to further expand the capabilities of the openmc_mcnp_adapter). The openmc.Mesh.material_volumes method has been completely reimplemented with a new approach based on ray tracing that greatly improves performance and can be executed in parallel. Tally results can be automatically applied to input openmc.Tally objects with openmc.Model.run, bypassing boilerplate code for collecting tally results from statepoint files. Finally, a new openmc.deplete.d1s submodule has been added that enables Direct 1-Step (D1S) calculations of shutdown dose rate for fusion applications.

Compatibility Notes and Deprecations

The openmc.ProjectionPlot class has been renamed to openmc.WireframeRayTracePlot to be in better alignment with the newly introduced openmc.SolidRayTracePlot class.

NCrystal has been moved from a build-time dependency to a runtime dependency, which means there is no longer a OPENMC_USE_NCRYSTAL CMake option. Instead, OpenMC will look for an installed version of NCrystal using the ncrystal-config command.

New Features

Numerous improvements have been made in the random ray solver:
- Calculation of Shannon entropy now works with random ray (#3030)
- Support for linear sources (#3072)
- Ability to slove for adjoint flux (#3191)
- Support randomized Quasi-Monte Carlo sampling (#3268)
- FW-CADIS weight window generation (#3273)
- Source region mesh subdivision(#3333)
Several new composite surfaces have been added:
- openmc.model.OrthogonalBox (#3118)
- openmc.model.ConicalFrustum (#3151)
- openmc.model.Vessel (#3168)
The openmc.Model.plot method now supports plotting source sites (#2863)
The openmc.stats.delta_function convenience function can be used for specifying distributions with a single point (#3090)
Added a openmc,Material.get_element_atom_densities method (#3103)
Several third-party dependencies have been removed:
- Cython (#3111)
- gsl-lite (#3225)
Added a new openmc.MuSurfaceFilter class that filters tally events by the cosine of angle of a surface crossing (#2768)
Introduced a openmc.ParticleList class for manipulating a list of source particles (#3148)
Support dose coefficients from ICRP 74 in openmc.data.dose_coefficients (#3020)
Introduced a new openmc.Settings.uniform_source_sampling option (#3195)
Ability to differentiate materials in DAGMC universes (#3056)
Added methods to automatically apply results to existing Tally objects. (#2671)
Implemented a new openmc.SolidRayTracePlot class that can produce a 3D visualization based on Phong shading (#2655)
The openmc.UnstructuredMesh.write_data_to_vtk method now supports writing a VTU file (#3290)
Composite surfaces now have a openmc.CompositeSurface.component_surfaces attribute that provides the underlying primitive surfaces (#3167)
A new openmc.deplete.d1s submodule has been added that enables Direct 1-Step (D1S) calculations of shutdown dose rate for fusion applications (#3235)

Bug Fixes and Small Changes

run microxs with mpi (#3028)
Rely on std::filesystem for file_utils (#3042)
Random Ray Normalization Improvements (#3051)
Alternative Random Ray Volume Estimators (#3060)
Random Ray Testing Simplification (#3061)
Fix hyperlinks in random_ray.rst (#3064)
Add missing show_overlaps option to plots.xml input file documentation (#3068)
Remove use of pkg_resources package (#3069)
Add option for survival biasing source normalization (#3070)
Enforce sequence type when setting Setting.track (#3071)
Moving most of setup.py to pyproject.toml (#3074)
Enforce non-negative percents for material.add_nuclide to prevent unintended ao/wo flipping (#3075)
Include batch statistics discussion in methodology introduction (#3076)
Add -DCMAKE_BUILD_TYPE=Release flag for MOAB in Dockerfile (#3077)
Adjust decay data reader to better handle non-normalized branching ratios (#3080)
Correct openmc.Geometry initializer to accept iterables of openmc.Cell (#3081)
Replace all deprecated Python typing imports and syntax with updated forms (#3085)
Fix ParticleFilter to work with set inputs (#3092)
packages used for testing moved to tests section of pyprojects.toml (#3094)
removed unused which function in CI scripts (#3095)
Improve description of probabilities for openmc.stats.Tabular class (#3099)
Ensure RegularMesh repr shows value for width of the mesh (#3100)
Replacing endf c functions with package (#3101)
Fix random ray solver to correctly simulate fixed source problems with fissionable materials (#3106)
Improve error for nuclide temperature not found (#3110)
Added error if cross sections path is a folder (#3115)
Implement bounding_box operation for meshes (#3119)
allowing varible offsets for polygon.offset (#3120)
Write surface source files per batch (#3124)
Mat ids reset (#3125)
Tweaking title of feature issue template (#3127)
Fix a typo in feature request template (#3128)
Update quickinstall instructions for macOS (#3130)
adapt the openmc-update-inputs script for surfaces (#3131)
Theory documentation on PCG random number generator (#3134)
Adding tmate action to CI for debugging (#3138)
Add Versioning Support from version.txt (#3140)
Correct failure due to progress bar values (#3143)
Avoid writing subnormal nuclide densities to XML (#3144)
Immediately resolve complement operators for regions (#3145)
Improve Detection of libMesh Installation via LIBMESH_ROOT and CMake's PkgConfig (#3149)
Fix for UWUW Macro Conflict (#3150)
Consistency in treatment of paths for files specified within the Model class (#3153)
Improve clipping of Mixture distributions (#3154)
Fix check for trigger score name (#3155)
Prepare point query data structures on meshes when applying Weight Windows (#3157)
Add PointCloud spatial distribution (#3161)
Update fmt submodule to version 11.0.2 (#3162)
Move to support python 3.13 (#3165)
avoid zero division if source rate of previous result is zero (#3169)
Fix path handling for thermal ACE generation (#3171)
Update fmt Formatters for Compatibility with Versions below 11 (#3172)
added subfolders to txt search command in pyproject (#3174)
added list to doc string arg for plot_xs (#3178)
enable polymorphism for mix_materials (#3180)
Fix plot_xs type hint (#3184)
Enable adaptive mesh support on libMesh tallies (#3185)
Reset values of lattice offset tables when allocated (#3188)
Update surface_composite.py (#3189)
add export_model_xml arguments to Model.plot_geometry and
Model.calculate_volumes (#3190)
Fixes in MicroXS.from_multigroup_flux (#3192)
Fix documentation typo in boundary_type (#3196)
Fix docstring for Model.plot (#3198)
Apply weight windows at collisions in multigroup transport mode. (#3199)
External sources alias sampler (#3201)
Add test for flux bias with weight windows in multigroup mode (#3202)
Fix bin index to DoF ID mapping bug in adaptive libMesh meshes (#3206)
Ensure libMesh::ReplicatedMesh is used for LibMesh tallies (#3208)
Set Model attributes only if needed (#3209)
adding unstrucutred mesh file suffix to docstring (#3211)
Write and read mesh name attribute (#3221)
Adjust for secondary particle energy directly in heating scores (#3227)
Correct normalization of thermal elastic in non standard ENDF-6 files (#3234)
Adding '#define _USE_MATH_DEFINES' to make M_PI declared in Intel and MSVC compilers (#3238)
updated link to log mapping technique (#3241)
Fix for erroneously non-zero tally results of photon threshold reactions (#3242)
Fix type comparison (#3244)
Enable the LegendreFilter filter to be used in photon tallies for orders greater than P0. (#3245)
Enable UWUW library when building with DAGMC in CI (#3246)
Remove top-level import of openmc.lib (#3250)
updated docker file to latest DAGMC (#3251)
Write mesh type as a dataset always (#3253)
Update to a consistent definition of the r2 parameter for cones (#3254)
Add Patrick Shriwise to technical committee (#3255)
Change Zernike documentation in polynomial.py (#3258)
Bug fix for Polygon 'yz' basis (#3259)
Add constant for invalid surface tokens. (#3260)
Update plots.py for PathLike to string handling error (#3261)
Fix bug in WeightWindowGenerator for empty energy bounds (#3263)
Update recognized thermal scattering materials for ENDF/B-VIII.1 (#3267)
simplify mechanism to detect if geometry entity is DAG (#3269)
Fix bug in Surface.normalize (#3270)
Tweak To Sphinx Install Documentation (#3271)
add continue feature for depletion (#3272)
Updates for building with NCrystal support (and fix CI) (#3274)
Added missing documentation (#3275)
fix the bug in function differentiate_mats() (#3277)
Fix the bug in the Material.from_xml_element function (#3278)
Doc typo fix for rand ray mgxs (#3280)
Consolidate plotting capabilities in Model.plot (#3282)
adding non elastic MT number (#3285)
Fix Tabular.from_xml_element for histogram case (#3287)
Random Ray Source Region Refactor (#3288)
added terminal output showing compile options selected (#3291)
Random ray consistency changes (#3298)
Random Ray Explicit Void Treatment (#3299)
removed old command line scripts (#3300)
Avoid end of life ubuntu 20.04 in ReadTheDocs runner (#3301)
Avoid error in CI from newlines in commit message (#3302)
...

Assets 2

22 Jun 01:46

paulromano

v0.15.0

55b52b7

OpenMC 0.15.0

This release of OpenMC includes many bug fixes, performance improvements, and several notable new features. The major highlight of this release is the introduction of a new transport solver based on the random ray method, which is fully described in the user's guide. Other notable additions include a mesh-based source class (openmc.MeshSource), a generalization of source domain rejection through the notion of "constraints", and new methods on mesh-based classes for computing material volume fractions and homogenized materials.

Compatibility Notes and Deprecations

Previously, specifying domain rejection for a source was only possible on the openmc.IndependentSoure class and worked by specifying a domains argument. This capability has been generalized to all source classes and expanded as well; specifying a domain to reject on should now be done with the constraints argument as follows:

source = openmc.IndependentSource(..., constraints={'domains': [cell]})

The domains argument is deprecated and will be removed in a future version of OpenMC. Similarly, the only_fissionable argument to openmc.stats.Box has been replaced by a 'fissionable' constraint. That is, instead of specifying:

space = openmc.stats.Box(lower_left, upper_right, only_fissionable=True)
source = openmc.IndependentSource(space=space)

You should now provide the constraint as:

space = openmc.stats.Box(lower_left, upper_right)
source = openmc.IndependentSource(space=space, constraints={'fissionable': True})

The openmc.Settings.max_splits attribute was renamed to max_history_splits and its default value has been changed to 1e7 (#2954).

New Features

When running OpenMC in volume calculation mode, only atomic weight ratio data is loaded from data files which reduces initialization time. (#2741)
Introduced a GeometryState class in C++ to better separate particle and geometry data. (#2744))
A new openmc.MaterialFromFilter class allows filtering tallies by which material a particle came from. (#2750)
Implemented a openmc.deplete.MicroXS.from_multigroup_flux method that generates microscopic cross sections for depletion from a predetermined multigroup flux. (#2755)
A new openmc.MeshSource class enables the specification of a source distribution over a mesh, where each mesh element has a different energy/angle/time distribution. (#2759)
Improve performance of depletion solver by utilizing CSR sparse matrix representation. (#2764,
#2771)
Added a openmc.CylindricalMesh.get_indices_at_coords method that provides the mesh element index corresponding to a given point in space. (#2782)
Added a path argument to the openmc.deplete.Integrator.integrate method. (#2784)
Added a openmc.Geometry.get_all_nuclides method. (#2796)
A new capability to compute material volume fractions over mesh elements was added in the openmc.lib.Mesh.material_volumes method. (#2802)
A new transport solver was added based on the random ray method. (#2823, #2988)
Added a openmc.lib.Material.depletable attribute. (#2843)
Added a openmc.lib.Mesh.get_plot_bins method and corresponding openmc_mesh_get_plot_bins C API function that can be utilized to generate mesh tally visualizations in the plotter application. (#2854)
Introduced a openmc.read_source_file function that enables reading a source file from the Python API. (#2858)
Added a bounding_box property on the openmc.RectilinearMesh and openmc.UnstructuredMesh classes. (#2861)
Added a openmc_mesh_get_volumes C API function. (#2869)
The openmc.Settings.surf_source_write dictionary now accepts cell, cellfrom, or cellto keys that limit surface source sites to those entering or leaving specific cells. (#2888)
Added a openmc.Region.plot method that allows regions to be plotted directly. (#2895)
Implemented "contains" operator for the openmc.BoundingBox class. (#2906)
Generalized source rejection via a new constraints argument to all source classes. (#2916)
Added a new openmc.MeshBornFilter class that filters tally events based on which mesh element a particle was born in. (#2925)
The openmc.Trigger class now has a ignore_zeros argument that results in any bins with zero score to be ignored when checking the trigger. (#2928)
Introduced a openmc.Settings.max_events attribute that controls the maximum number of events a particle can undergo. (#2945)
Added support for openmc.UnstructuredMesh in the openmc.MeshSource class. (#2949)
Added a openmc.MeshBase.get_homogenized_materials method that computes homogenized materials over mesh elements. (#2971)
Add an options argument to openmc.UnstructuredMesh that allows configuring underlying data structures in MOAB. (#2976)
Type hints were added to several classes in the :mod:openmc.deplete module. (#2866)

Bug Fixes

Fix unit conversion in openmc.deplete.Results.get_mass (#2761)
Fix Lagrangian interpolation (#2775)
Depletion restart with MPI (#2778)
Modify depletion transfer rates test to be more robust (#2779)
Call simulation_finalize if needed when finalizing OpenMC (#2790)
F90_NONE Removal (MGMC tallying optimization) (#2785)
Correctly apply volumes to materials when using DAGMC geometries (#2787)
Add inline to openmc::interpolate (#2789)
Use huge_tree=True in lxml parsing (#2791)
OpenMPMutex "Copying" (#2794)
Do not link against several transitive dependencies of HDF5 (#2797)
Added check to length of input arguments for IndependantOperator (#2799)
Pytest Update Documentation (#2801)
Move 'import lxml' to third-party block of imports (#2803)
Fix creation of meshes when from loading settings from XML (#2805)
Avoid high memory use when writing unstructured mesh VTK files (#2806)
Consolidating thread information into the openmp interface header (#2809)
Prevent underflow in calculation of speed (#2811)
Provide error message if a cell path can't be determined (#2812)
Fix distribcell labels for lattices used as fill in multiple cells (#2813)
Make creation of spatial trees based on usage for unstructured mesh. (#2815)
Ensure particle direction is normalized for plotting / volume calculations (#2816)
Added missing meshes to documentation (#2820)
Reset timers at correct place in deplete (#2821)
Fix config change not propagating through to decay energies (#2825)
Ensure that implicit complement cells appear last in DAGMC universes (#2838)
Export model.tallies to XML in CoupledOperator (#2840)
Fix locating h5m files references in DAGMC universes (#2842)
Prepare for NumPy 2.0 (#2845)
Added missing functions and classes to openmc.lib docs (#2847)
Fix compilation on CentOS 7 (missing link to libdl) (#2849)
Adding resulting nuclide to cross section plot legend (#2851)
Updating file extension for Excel files when exporting MGXS data (#2852)
Removed error raising when calling warn (#2853)
Setting surf_source_ attribute for DAGMC surfaces. (#2857)
Changing y axis label for heating plots (#2859)
Removed unused step_index arg from restart (#2867)
Fix issue with Cell::get_contained_cells() utility function (#2873)
Adding energy axis units to plot xs (#2876)
Set OpenMCOperator materials when diff_burnable_mats = True (#2877)
Fix expansion filter merging (#2882)
Added checks that tolerance value is between 0 and 1 (#2884)
Statepoint file loading refactor and CAPI function (#2886)
Added check for length of value passed into EnergyFilter (#2887)
Ensure that Model.run() works when specifying a custom XML path (#2889)
Updating docker file base to bookworm (#2890)
Clarifying documentation for cones (#2892)
Abort on cmake config if openmp requested but not found (#2893)
Tiny updates from experience building on Mac (#2894)
Added damage-energy as optional reaction for micro (#2903)
docs: add missing max_splits in settings specification (#2910)
Changed CI to use latest actions to get away from the Node 16 deprecation. (#2912)
Mkdir to always allow parents and exist ok (#2914)
Fixed small sphinx typo (#2915)
Hexagonal lattice iterators (#2921)
Fix Chain.form_matrix to work with scipy 1.12 (#2922)
Allow get_microxs_and_flux to use OPENMC_CHAIN_FILE environment variable (#2934)
Polygon fix to better handle colinear points (#2935)
Fix CMFD to work with scipy 1.13 (#2936)
Print warning if no natural isotopes when using add_element (#2938)
Update xtl and xtensor submodules (#2941)
Ensure two surfaces with different boundary type are not considered redundant (#2942)
Updated package versions in Dockerfile (#2946)
Add MPI calls to DAGMC external test (#2948)
Eliminate deprecation warnings from scipy and pandas (#2951)
Update math function unit test with catch2 (#2955)
Support track file writing for particle restart runs. (#2957)
Make UWUW optional (#2965)
Allow pure decay IndependentOperator (#2966)
Added fix to cfloat_endf for length 11 endf floats (#2967)
Moved apt get to optional CI parts (#2970)
Update bounding_box docstrings (#2972)
Added extra error checking on spherical mesh creation (#2973)
Update CODEOWNERS file (#2974)
Added error checking on cylindrical mesh (#2977)
Correction for histogram interpolation of Tabular distributions (#2981)
Enforce lower_left in lattice geometry (#2982)
Update random_dist.h comment to be less specific (#2991)
Apply memoization in get_all_universes (#2995)
Make sure skewed dataset is cast to bool properly (#3001)
Hexagonal lattice roundtrip (#3003)
Fix CylinderSector and IsogonalOctagon translations (#3018)
Sets used instead of lists when membership testing (#3021)
Fixing plot xs for when plotting element string reaction (#3029)
Fix shannon entropy broken link (...

Contributors

paulromano, ebknudsen, and 30 other contributors

Assets 3

06 Nov 21:21

paulromano

v0.14.0

fa23301

OpenMC 0.14.0

This release of OpenMC includes many bug fixes, performance improvements, and several notable new features. Some of the highlights include projection plots, pulse height tallies for photons, weight window generation, and an ability to specify continuous removal or feed of nuclides/elements during depletion. Additionally, one of the longstanding annoyances of depletion calculations, namely the need to include initial "dilute" nuclides, has been eliminated. There are also a wide array of general improvements in the Python API.

Compatibility Notes and Deprecations

The openmc.deplete.MicroXS class has been completely redesigned and improved. See further comments below under "New Features". (#2572, #2579, #2595, #2700)
The rectangular_prism function has been replaced by the openmc.model.RectangularPrism class and the hexagonal_prism function has been replaced by the openmc.model.HexagonalPrism class. Note that whereas the rectangular_prism and hexagonal_prism functions returned a region representing the interior of the prism, the new openmc.model.RectangularPrism and
openmc.model.HexagonalPrism classes return composite surfaces, so you need to use the unary - or + operators to obtain a region that can be assigned to a cell. (#2739)
The Source class has been refactored and split up into three separate classes: openmc.IndependentSource, openmc.FileSource, and openmc.CompiledSource. (#2524)
The vertices and centroids attributes on mesh classes now always return Cartesian coordinates and the shape of the returned arrays has changed to allow ijk indexing using a tuple (i.e., xyz = vertices[i, j, k]). (#2711)
The openmc.Material.decay_photon_energy attribute has been replaced by the openmc.Material.get_decay_photon_energy method. (#2715)

New Features

A new openmc.ProjectionPlot class enables the generation of orthographic or perspective projection plots. (#1926)
The openmc.model.RightCircularCylinder class now supports optional filleted edges. (#2309)
Continuous removal or feed of nuclides/elements between materials can now be modeled during depletion via the openmc.deplete.abc.Integrator.add_transfer_rate method. (#2358, #2564, #2626)
The MAGIC method for global weight window generation has been implemented as part of the C++ API. (#2359)
A new capability for pulse height tallies (currently limited to photons) has been added and can be used via the "pulse-height" tally score. (#2452)
A openmc.model.CruciformPrism class has been added that provides a generalized cruciform prism composite surface. (#2457)
Type hints have been added in various places throughout the Python API. (#2462 , #2467, #2468, #2470, #2471, #2601)
Voxel plots can now be generated through the openmc.Plot.to_vtk method. (#2464)
The openmc.mgxs.EnergyGroups class now allows you to alternatively pass a string of the group structure name (e.g., "CCFE-709") instead of the energy group boundaries. (#2466)
Several enhancements have been made to the openmc.Universe.plot method (addition of axis labels with units, ability to show legend and/or outlines, automatic determination of origin/width, ability to pass total number of pixels). (#2472 , #2482, #2483, #2492, #2513, #2575)
Functionality in the Python API dealing with bounding boxes now relies on a new openmc.BoundingBox class. (#2475)
Users now have more flexibility in specifying nuclides and reactions in the openmc.plot_xs function. (#2478)
The import time of the openmc Python module has been improved by deferring the import of matplotlib. (#2488)
Mesh clases in the Python API now support a bounding_box property. (#2507, #2620, #2621)
The Source class has been refactored and split up into three separate classes: openmc.IndependentSource, openmc.FileSource, and openmc.CompiledSource. (#2524)
Support was added for curvilinear elements when exporting cylindrical and spherical meshes to VTK. (#2533)
The openmc.Tally class now has a openmc.Tally.multiply_density attribute that indicates whether reaction rate tallies should include the number density of the nuclide of interest. (#2539)
The openmc.wwinp_to_wws function now supports wwinp files with cylindrical or spherical meshes. (#2556)
Depletion no longer relies on adding initial "dilute" nuclides to each depletable material in order to compute reaction rates. (#2559, #2568)
The openmc.deplete.Results class now has openmc.deplete.Results.get_mass (#2565), openmc.deplete.Results.get_activity (#2617), and openmc.deplete.Results.get_decay_heat (#2625) methods.
The openmc.deplete.StepResult.save method now supports a path argument. (#2567)
The openmc.deplete.MicroXS has been completely redesigned and improved. First, it no longer relies on the openmc.mgxs module, no longer subclasses pandas.DataFrame, and doesn't require adding initial "dilute" nuclides into material compositions. It now enables users to specify an energy group structure to collect multigroup cross sections, specify nuclides/reactions, and works with mesh domains in addition to the existing domains. A new openmc.deplete.get_microxs_and_flux function was added that improves the workflow for calculating microscopic cross sections along with fluxes. Altogether, these changes make it straightforward to switch between coupled and independent operators for depletion/activation calculations. (#2572, #2579 , #2595, #2700)
The openmc.Geometry class now has merge_surfaces and surface_precision arguments. (#2602)
Several predefined energy group structures have been added ("MPACT-51", "MPACT-60", "MPACT-69", "SCALE-252"). (#2614)
When running a depletion calculation, you are now allowed to include nuclides in the initial material compositions that do not have neutron cross sections (decay-only nuclides). (#2616)
The openmc.CylindricalMesh and openmc.SphericalMesh classes can now be fully formed using the constructor. (#2619)
A time cutoff can now be specified in the openmc.Settings.cutoff attribute. (#2631)
The openmc.Material.add_element method now supports a cross_sections argument that allows a cross section data source to be specified. (#2633 )
The openmc.Cell class now has a plot method. (#2648)
The openmc.Geometry class now has a plot method. (#2661)
When weight window checks are performed can now be explicitly specified with the openmc.Settings.weight_window_checkpoints attribute. (#2670)
The openmc.Settings class now has a max_write_lost_particles attribute that can limit the number of lost particle files written. (#2688)
The openmc.deplete.CoupledOperator class now has a diff_volume_method argument that specifies how the volume of new materials should be determined. (#2691)
The openmc.DAGMCUniverse.bounding_region method now has a padding_distance argument. (#2701)
A new openmc.Material.get_decay_photon_energy method replaces the decay_photon_energy attribute and includes an ability to eliminate low-importance points. This is facilitated by a new openmc.stats.Discrete.clip method. (#2715)
The openmc.model.Model.differentiate_depletable_mats method allows depletable materials to be differentiated independent of the depletion calculation itself. (#2718)
Albedos can now be specified on surface boundary conditions. (#2724)

Bug Fixes

Enable use of NCrystal materials in plot_xs (#2435)
Avoid segfault from extern "C" std::string (#2455)
Fix several issues with the Model class (#2465)
Provide alternative batch estimation message (#2479)
Correct index check for remove_tally (#2494)
Support for NCrystal material in from_xml_element (#2496)
Fix compilation with gcc 5 (#2498)
Fixed in the Tally::add_filter method (#2501)
Fix meaning of "masking" for plots (#2510)
Fix description of statepoint.batches in Settings class (#2514)
Reorder list initialization of Plot constructor (#2519)
Added mkdir to cwd argument in Model.run (#2523)
Fix export of spherical coordinates in SphericalMesh (#2538)
Add virtual destructor on PlottableInterface (#2541)
Ensure parent directory is created during depletion (#2543)
Fix potential out-of-bounds access in TimeFilter (#2532)
Remove use of sscanf for reading surface coefficients (#2574)
Fix torus intersection bug (#2589)
Multigroup per-thread cache fixes (#2591)
Bank surface source particles in all active cycles (#2592)
Fix for muir standard deviation (#2598)
Check for zero fission cross section (#2600)
XML read fixes in Plot classes (#2623)
Added infinity check in VolumeCalculation (#2634)
Fix sampling issue in Mixture distributions (#2658)
Prevent segfault in distance to boundary calculation (#2659)
Several CylindricalMesh fixes (#2676, #2680, #2684, #2710)
Add type checks on Intersection, Union, Complement (#2685)
Fixed typo in CF4Integrator docstring (#2704)
Ensure property setters are used in CylindricalMesh and SphericalMesh (#2709)
Fix sample_external_source bug (#2713)
Fix localization issue affecting openmc-plotter (#2723)
Correct openmc.lib wrapper for evaluate_legendre (#2729)
Bug fix in Region.from_expression during tokenization (#2733)
Fix bug in temperature interpolation (#2734)
Check for invalid domain IDs in volume calculations (#2742)
Skip boundary condition check for volume calculations (#2743)
Fix loop over coordinates for source domain rejection (#2751)

Contributors

paulromano, gonuke, and 33 other contributors

Assets 3

29 Mar 19:22

paulromano

v0.13.3

27cb0dc

OpenMC 0.13.3

This release of OpenMC includes many bug fixes, performance improvements, and several notable new features. Some of the highlights include support for MCPL source files, NCrystal thermal scattering materials, and a new openmc.stats.MeshSpatial class that allows a source distribution to be specified over a mesh. Additionally, OpenMC now allows you to export your model as a single XML file rather than separate XML files for geometry, materials, settings, and tallies.

Compatability Notes and Deprecations

Atomic mass data used in openmc.data.atomic_mass has been updated to AME 2020, which results in slightly different masses.

New Features

Support was added for MCPL files to be used as external sources. Additionally, source points and surfaces sources can be written as MCPL files instead of HDF5 files. (#2116)
Support was added for NCrystal thermal scattering materials. (#2222)
The openmc.CylindricalMesh and openmc.SphericalMesh classes now have an origin attribute that changes the center of the mesh. (#2256)
A new openmc.model.Polygon class allows defining generalized 2D polygons. (#2266)
A new openmc.data.decay_energy function and openmc.Material.get_decay_heat method enable determination of decay heat from a single nuclide or material. (#2287)
Full models can now be written as a single XML file rather than separate geometry, materials, settings, and tallies XML files. (#2291)
Discrete distributions are now sampled using alias sampling, which is O(1) in time. (#2329)
The new openmc.stats.MeshSpatial allows a spatial source distribution to be specified with source strengths for each mesh element. (#2334)
The new openmc.Geometry.get_surfaces_by_name method returns a list of matching surfaces in a geometry. (#2347)
A new openmc.Settings.create_delayed_neutrons attribute controls whether delayed neutrons are created during a simulation. (#2348)
The openmc.deplete.Results.export_to_materials method now takes a path argument. (#2364)
A new openmc.EnergyFilter.get_tabular method allows one to create a tabular distribution based on tally results using an energy filter. (#2371)
Several methods in the openmc.Material class that require a volume to be set (e.g., openmc.Material.get_mass) now accept a volume argument. (#2412)

Bug Fixes

Fix for finding redundant surfaces (#2263)
Adds tolerance for temperatures slightly out of bounds (#2265)
Fix getter/setter for weight window bounds (#2275)
Make sure Chain.reduce preserves decay source (#2283)
Fix array shape for weight window bounds (#2284)
Fix for non-zero CDF start points in TSL data (#2290)
Fix a case where inelastic scattering yield is zero (#2295)
Prevent Compton profile out-of-bounds memory access (#2297)
Produce light particles from decay (#2301)
Fix zero runtime attributes in depletion statepoints (#2302)
Fix bug in openmc.Universe.get_nuclide_densities (#2310)
Only show print output from depletion on rank 0 (#2311)
Fix photon transport with no atomic relaxation data (#2312)
Fix for precedence in region expressions (#2318)
Allow source particles with energy below cutoff (#2319)
Fix IncidentNeutron.from_njoy for high temperatures (#2320)
Add capability to unset cell temperatures (#2323)
Fix in plot_xs when S(a,b) tables are present (#2335)
Various fixes for tally triggers (#2344)
Raise error when mesh is flat (#2363)
Don't call normalize inside Tabular.mean (#2375)
Avoid out-of-bounds access in inelastic scatter sampling (#2378)
Use correct direction for anisotropic fission (#2381)
Fix several thermal scattering nuclide assignments (#2382)
Fix _materials_by_id attribute in Model (#2385)
Updates to batch checks for simulation restarts (#2390)
write_data_to_vtk volume normalization correction (#2397)
Enable generation of JEFF 3.3 depletion chain (#2410)
Fix spherical to Cartesian coordinate conversion (#2417)
Handle zero photon cross sections in IncidentPhoton.from_ace (#2433)
Fix hybrid depletion when nuclides are not present (#2436)
Fix bug in cylindrical and spherical meshes (#2439)
Improvements to mesh radial boundary coincidence (#2443)

Contributors

paulromano, gonuke, and 22 other contributors

Assets 3

21 Oct 17:00

paulromano

v0.13.2

030f73a

OpenMC 0.13.2

This release of OpenMC includes several bug fixes, performance improvements for complex geometries and depletion simulations, and other general enhancements. Notably, a capability has been added to compute the photon spectra from decay of unstable nuclides. Alongside that, a new openmc.config configuration variable has been introduced that allows easier configuration of data sources. Additionally, users can now perform cell or material rejection when sampling external source distributions.

Compatability Notes and Deprecations

If you are building against libMesh for unstructured mesh tally support, version 1.6 or higher is now required.
The openmc.stats.Muir class has been replaced by a openmc.stats.muir function that returns an instance of openmc.stats.Normal.

New Features

The openmc.Material.get_nuclide_atom_densities method now takes an optional nuclide argument.
Functions/methods in the openmc.deplete module now accept times in Julian years ('a').
The openmc.Universe.plot method now allows a pre-existing axes object to be passed in.
Performance optimization for geometries with many complex regions.
Performance optimization for depletion by avoiding deepcopies and caching reaction rates.
The openmc.RegularMesh class now has a from_domain classmethod.
The openmc.CylindricalMesh class now has a from_domain classmethod.
Improved method to condense diffusion coefficients from the openmc.mgxs module.
A new :data:openmc.config configuration variable has been introduced that allows data sources to be specified at runtime or via environment variables.
The openmc.EnergyFunctionFilter class now supports multiple interpolation schemes, not just linear-linear interpolation.
The openmc.DAGMCUniverse class now has material_names, n_cells, and n_surfaces attributes.
A new openmc.data.decay_photon_energy function has been added that returns the energy spectrum of photons emitted from the decay of an unstable nuclide.
The openmc.Material class also has a new decay_photon_energy attribute that gives the decay photon energy spectrum from the material based on its constituent nuclides.
The openmc.deplete.StepResult now has a get_material method.
The openmc.Source class now takes a domains argument that specifies a list of cells, materials, or universes that is used to reject source sites (i.e., if the sampled sites are not within the specified domain, they are rejected).

Bug Fixes

Contributors

paulromano, nelsonag, and 13 other contributors

Assets 2

19 Aug 12:10

paulromano

v0.13.1

33bc948

OpenMC 0.13.1

This release of OpenMC includes many bug fixes as well as improvements in geometry modeling, mesh functionality, source specification, depletion capabilities, and other general enhancements. The depletion module features a new transport operator, openmc.deplete.IndependentOperator, that allows a depletion calculation to be performed using arbitrary one-group cross sections (e.g., generated by an external solver) along with a openmc.deplete.MicroXS class for managing one-group cross sections. The track file generation capability has been significantly overhauled and a new openmc.Tracks class was introduced to allow access to information in track files from the Python API. Support has been added for new ENDF thermal scattering evaluations that use mixed coherent/incoherent elastic scattering.

Compatibility Notes and Deprecations

The openmc.deplete.Operator class has been renamed openmc.deplete.CoupledOperator.
The openmc.deplete.ResultsList class has been renamed to openmc.deplete.Results and no longer requires you to call the from_hdf5() method in order to create it; instead, you can directly instantiate it.
A few methods that represent k-effective have been renamed for the sake of consistency:
- openmc.StatePoint.k_combined is now openmc.StatePoint.keff
- openmc.deplete.ResultsList.get_eigenvalue is now openmc.deplete.Results.get_keff
The openmc.stats.SphericalIndependent class, which used to accept a distribution for theta now accepts a distribution for cos_theta instead in order to more easily handle the common case of specifying a uniform spatial distribution over a sphere (also see the new openmc.stats.spherical_uniform function).

If you are building OpenMC from source, note that several of our CMake options have been changed:

Old option	New option
`debug`	---
`optimize`	---
`profile`	`OPENMC_ENABLE_PROFILE`
`coverage`	`OPENMC_ENABLE_COVERAGE`
`openmp`	`OPENMC_USE_OPENMP`
---	`OPENMC_USE_MPI`
`dagmc`	`OPENMC_USE_DAGMC`
`libmesh`	`OPENMC_USE_LIBMESH`

The debug and optimize options have been removed; instead, use the standard CMAKE_BUILD_TYPE variable.

New Features

Two new composite surfaces: openmc.model.IsogonalOctagon and openmc.model.CylinderSector.
The DAGMCUniverse class now has a bounding_box attribute and a bounding_region method.
When translating a Region using the translate method, there is now an inplace argument.
The Material class has several new methods and attributes:
- The add_components methods allows you to add multiple nuclides/elements to a material with a single call by passing a dictionary.
- The get_activity method returns the activity of a material in Bq, Bq/g, or Bq/cm³.
- The remove_element method removes an element from a material
- The get_nuclide_atoms method gives the number of atoms of each nuclide in a material
All mesh classes now have a volumes property that provides the volume of each mesh element as well as write_data_to_vtk methods.
Support for externally managed MOAB meshes or libMesh meshes.
Multiple discrete distributions can be merged with the new openmc.stats.Discrete.merge method.
The openmc.stats.spherical_uniform function creates a uniform distribution over a sphere using the SphericalIndependent class.
Univariate distributions in the openmc.stats module now have sample() methods.
An openmc_sample_external_source function has been added to the C API with a corresponding Python binding openmc.lib.sample_external_source.
The track file generation capability has been completely overhauled. Track files now include much more information, and a new openmc.Tracks class allows access to track file information from the Python API and has a write_to_vtk method for writing a VTK file. Multiple tracks are now written to a single file (one per MPI rank).
A new openmc.wwinp_to_wws function that converts weight windows from a wwinp file to a list of WeightWindows objects.
The new openmc.EnergyFilter.from_group_structure method provides a way of creating an energy filter with a group structure identified by name.
The openmc.data.Decay class now has a sources property that provides radioactive decay source distributions.
A openmc.mgxs.ReducedAbsorptionXS class produces a multigroup cross section representing "reduced" absorption (absorption less neutron production from (n,xn) reactions).
Added support in the Python API and HDF5 nuclear data format for new ENDF thermal neutron scattering evaluations with mixed coherent elastic and incoherent elastic.
CMake now relies on find_package(MPI) for a more standard means of identifying an MPI compiler configuration.

Bug Fixes

Contributors

andrsd, paulromano, and 21 other contributors

Assets 3

14 Feb 16:37

paulromano

v0.13.0

cff247e

OpenMC 0.13.0

This release of OpenMC includes several noteworthy and unique features. Most importantly, mesh-based weight windows have been added and work with all supported mesh types (regular, rectilinear, cylindrical, spherical, and unstructured). Other additions include torus surfaces, an ability to place CAD-based geometries in universes, a feature to export/import physical properties, and a filter for particle time.

There is one breaking changing in the Python API. The openmc.deplete.Operator class used to accept Geometry and Settings objects as its first two arguments; users now need to pass a Model class instead.

The minimum supported Python version is now 3.6.

New Features

Variance reduction using mesh-based weight windows is now possible with the WeightWindows class.
Users can now model axis-aligned tori using the XTorus, YTorus, and ZTorus classes.
DAGMC CAD-based geometries can now be placed in a universe using DAGMCUniverse, allowing users to combine CSG and CAD-based geometry in a single model.
The C/C++ API has two new functions openmc_properties_export and openmc_properties_import with corresponding Python API bindings, openmc.lib.export_properties and openmc.lib.import_properties. These functions allow physical properties (temperatures, densities, material compositions) to be written to an HDF5 file and re-used for subsequent simulations.
A new openmc.stats.PowerLaw univariate distribution
The capabilities of the Model class have been substantially expanded (e.g., the Model.deplete, Model.plot_geometry, and Model.rotate_cells methods).
A new TimeFilter class that allows tallies to be filtered by the particle's time, which is now tracked.
The Source class now allows you to specify a time distribution.
The new CylindricalMesh and SphericalMesh classes can be used for mesh tallies over cylidrical and spherical meshes, respectively.
Geometry plotting, which used to produce the files in the unusual .ppm format, now produces .png files by default.

Bug Fixes

Contributors

This release contains new contributions from the following people:

Contributors

jeffhammond, paulromano, and 16 other contributors

Assets 3

15 Jun 02:24

paulromano

v0.12.2

cbfcf90

OpenMC 0.12.2

This release of OpenMC is primarily a hotfix release with numerous important bug fixes. Several tally-related enhancements have also been added.

New Features

Three tally-related enhancements were added to the code in this release:

A new CollisionFilter class that allows tallies to be filtered by the number of collisions a particle has undergone.
A translation attribute has been added to MeshFilter that allows a mesh to be translated from its original position before location checks are performed.
The UnstructuredMesh class now supports libMesh unstructured meshes to enable better ingration with MOOSE-based applications.

Bug Fixes

Contributors

This release contains new contributions from the following people:

Assets 3

Releases: openmc-dev/openmc

OpenMC 0.15.3

Compatibility Notes and Deprecations

New Features

Bug Fixes and Small Changes

Uh oh!

OpenMC 0.15.2

Bug Fixes and Small Changes

Uh oh!

OpenMC 0.15.1

Compatibility Notes and Deprecations

New Features

Bug Fixes and Small Changes

Uh oh!

OpenMC 0.15.0

Compatibility Notes and Deprecations

New Features

Bug Fixes

Contributors

Uh oh!

OpenMC 0.14.0

Compatibility Notes and Deprecations

New Features

Bug Fixes

Contributors

Contributors

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OpenMC 0.13.3

Compatability Notes and Deprecations

New Features

Bug Fixes

Contributors

Contributors

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OpenMC 0.13.2

Compatability Notes and Deprecations

New Features

Bug Fixes

Contributors

Contributors

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OpenMC 0.13.1

Compatibility Notes and Deprecations

New Features

Bug Fixes

Contributors

Contributors

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OpenMC 0.13.0

New Features

Bug Fixes

Contributors

Contributors

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OpenMC 0.12.2

New Features

Bug Fixes

Contributors

Uh oh!