-> Adds new optional argument enrichment_target to Element.expand
-> expand uses old Uranium Enrichment method if enrichment is given
without enrichment target
-> Adds a comment to openmc.data to clarify that NATURAL_ABUNDANCE
contains atomic fractions
- OpenMC segfaulted when subshell cross sections were missing in HDF5 files
- IncidentPhoton.from_ace shouldn't work with mcplib84 and before
- Properly set threshold for subshell cross sections from eprdata12/14
- Make sure IncidentPhoton.from_endf works with only photoatomic data
When trying to process Pa233 from ENDF/B-VIII.0, which has a threshold fission
reaction, I discovered that calculating heating numbers crashed because we were
trying to do arithmetic on arrays of different sizes. Re-evaluting the fission
cross section on the proper energy grid does the trick here.
The fission heating data generated with IncidentNeutron.from_njoy
does not have the same energy grid as other reactions. Previously,
the energy grid was maintained and the non-fission heating was generated
by evaluating total heating at each point in the fission heating grid
and taking total_xs(fission_h.x) - fission_h.y
This led to the crash in #1340 where openmc expected cross
sections to use the same grid, or at least same number of grid
points when computing the total cross section. While fission heating
is not included in the total cross section [since 71825fb35],
a consistent energy grid is helpful.
Both fission heating and non-fission heating now use the energy
grid from the total heating.
Fission heating should not contribute to total cross section,
and marking the reaction as redundant ensures this. MT=318 for
fission heating is already included in the redundant reactions
to keep when exported to HDF5
Related to #1340
Passing ace to make_ace is not supported. Use acer instead.
The acer argument now signals if the acer njoy module should
be run and where to save the output file. xsdir defaults to
None now, rather than "xsdir". This change allows the xsdir
file to be written to the same directory as acer, or a user
supplied location potentially separate from ace file.
Use openmc.data.endf.get_evaluations to read in potentially
many 318 evaluations from the heatr file. The evaluated
temperatures are pulled using the target attribute, rounded
to the nearest integer for consistency, e.g. 293.6K -> 294K.
The user can now pass a single argument indicating where output
tapes for each njoy module should be written. The default argument
is the current working directory, useful for removing any temporary
files created during testing.
The pendf, broadr, heatr, gaspr, and purr arguments can either
be booleans or strings. A boolean value indicates the module output
should be written into a file named after the module, e.g. heatr output
written to <output_dir>/heatr.
ace and xsdir can be None or strings. A value of None means the
final ace and xsdir files will be written to
<output_dir>/ace and <output_dir>/xsdir, respectively. The temporary
temperature-dependent ace and xsdir files are now always named
"ace_<temp>" and "xsdir_<temp>", as the ace and xsdir arguments can
be more than "ace" and "xsdir".
openmc.data.IncidentNeutron.from_njoy knows to use this output_dir
argument to ensure all created tape files are written into the
temporary directory or the user requested directory, if applicable.
This commit was written because simply writing the broadr, gaspr,
and purr output files to "broadr", "gaspr", and "purr" resulted
in left over files after running tests.
MT318 and MT999 for fission heating and non-fission heating
have been added to the reactions supported in
openmc/data/reaction.py and src/reaction.cpp
Changed internal language from fission-less heating to
non-fission heating
