Refactoring moltres_xs to be able to use mgxs.Library() functionality. by Jeremyb8707bigbrain · Pull Request #340 · arfc/moltres

Jeremyb8707bigbrain · 2026-02-02T19:58:04Z

Summary of changes

Types of changes

Bug fix (non-breaking change which fixes an issue)
New feature (non-breaking change which adds functionality)
Breaking change (fix or feature that would cause existing functionality to change)

Required for Merging

I have read the CONTRIBUTING document.
My code follows the code style of this project.
My change requires a change to the documentation.
I have updated the documentation accordingly.
I have added tests to cover my changes.
All new and existing tests passed.
- CI tests pass
- Local tests pass (including Serpent2 integration tests)

Associated Issues and PRs

Issue: Refactor moltres_xs.py to use OpenMC helper functions for group constant generation #319

Associated Developers

Dev: @smpark7

Checklist for Reviewers

Reviewers should use this link to get to the
Review Checklist before they begin their review.

… tallies. Includes a built in .json dump file that can be removed/configured. Issue arfc#319

Jeremyb8707bigbrain · 2026-02-02T21:20:08Z

Hey everyone,

I ran local tests myself for the godiva.json files, mostly everything lines up like it should.
The main issue is my cross sections that I had myself only are 6 delayed groups, and I really dont know how to get the 8 that godiva.json used.

Another discrepancy that may be noted is the version, I am on OpenMC version 0.15.2 so the numbers are within std. dev, but for the smaller values it had a bit more range.

99% of everything works as it should, and I plan to add support for multiple statepoints and summaries soon. I added the openmc_mgxslib class so even if it is not 100% it can be added (maybe).

Also I forgot to say, this one does not require an input file that specifies energy groups delayed etc, that all comes with a properly configured mgxs.Library(). Also I am working on ordering the files consistently in the.json.

…ed sorting inside of the JSON.

…ned up spacing, extra lines, and more type checking and error catching.

…. Tweaked division by zero handling to be more readable and less complex.

… added back the consistent nu-scatter matrix requirement because I was testing stuff and forgot to add that back.

…sted the consistent nu-scatter matrix processing to allow all legendre_order types.

smpark7 · 2026-02-06T21:05:50Z

Hey @Jeremyb8707bigbrain thanks again for working on this PR. I have been very busy, but I have some general feedback:

Your code should replace the existing class openmc_xs, not create a new class.
The new version should maintain compatibility with the existing workflow for group constant generation for backward compatibility and user-friendliness. Current workflow:
- Use openmc_xs.generate_openmc_tallies_xml to configure tallies (currently through individual mgxs tallies, to be migrated to mgxs.Library())
- Run OpenMC, potentially at multiple reactor temperatures
- Run $MOLTRES/python/moltres_xs.py input.inp to parse and generate json group constant file.
It should continue to have the openmc_xs.generate_openmc_tallies_xml function that helps beginner users automatically configure mgxs.Library() such that the generated group constants are compatible with the neutronics solvers in Moltres. Advanced users can choose to ignore this function and configure mgxs.Library() in their own way if they wish.
It should be compatible with the existing approach of using .inp files for users to specify which material group constants and temperature values they want.
You'll find how totalxs and nuscattermatrix group constants are extracted in moltres_xs.py for the new SN solver in Moltres.
You're missing remxs values that are needed by the neutron diffusion solver.
If possible, the mgxs.Library() configuration settings should be compatible with OpenMC mgxs generation for its own multigroup solver (https://nbviewer.org/github/openmc-dev/openmc-notebooks/blob/main/mg-mode-part-ii.ipynb). This would avoid having duplicate mgxs tallies that would otherwise significantly increase OpenMC simulation time.

Jeremyb8707bigbrain · 2026-02-07T15:25:15Z

Perfect I can do all of that!
I will put another comment when I would like it to be reviewed, for now I will start working on that feedback!

Changed main openmc (0.15.3) calls to run new function rather than the old one, added a way to manually build old case logic via inputs and inspecting python file for the mgxs.Library Added better logging for errors at mgxslib.load_from_statepoints.... Adapted it so that it will correctly use burn_idexes to comply with read_input() formatting. Set generate_openmc_talies_xml as a staticmethod explicitly

Local tests were ran and all files looked correct.

Jeremyb8707bigbrain · 2026-02-09T19:24:42Z

Hey @smpark7, everything for the most part is in order!

I kept the openmc_xs class still available just in case you wanted to mark it for deprecation so users know that they will need to change their parameters slightly.

I have a few questions, did you want me to include the SPN calculation? I can easily (I hope) include that I was just wondering if you would like me to. I also added TOTXS which is not present in the reference godiva.json file, but I see it in the code, would you like me to keep that or remove it? Last question, for your suggestion of having the mgxs.Library() be compatible with OpenMC's own multigroup mode, it would require an additional tally (Absorption), would you like me to add that and add the OpenMC Function check_library_for_openmc_mgxs() to the process_mgxslib() function to ensure advanced users must also meet that requirement?

I did a few tests with multiple statepoints and summaries, here are the results, again I do not have access to all 8 delayed groups so some areas will be off very slightly.

If you have any other concerns or questions please reach out! I also credit my research partner @rafainn for help with the input file work, very helpful!

Example Python File: (I again dont have the cross sections at 900K or 1200K so I made them myself, which means sadly only 6 delayed groups)

import openmc
import sys
sys.path.insert(1,"/moltres_test/moltres_xs-Refactor-MGXS/python/")
from moltres_xs import openmc_mgxslib

fuel_mat = openmc.Material(name='fuel', material_id=1)
fuel_mat.set_density('atom/b-cm', 4.7984E-02)
fuel_mat.temperature = 900
fuel_mat.add_nuclide("U235", 4.4994E-02, percent_type='ao')
fuel_mat.add_nuclide("U238", 2.4984E-03, percent_type='ao')
fuel_mat.add_nuclide("U234", 4.9184E-04, percent_type='ao')

mats = openmc.Materials([fuel_mat])
mats.cross_sections = "/workspace/moltensaltsim/Material_Data/OpenMC_XMLs/cross_sections_godiva.xml"
mats.export_to_xml()

sph = openmc.Sphere(r=8.7407, boundary_type='vacuum')

fuel_core = openmc.Cell(fill=fuel_mat, region=-sph)

geom = openmc.Geometry([fuel_core])
geom.export_to_xml()

settings = openmc.Settings()
settings.batches = 100
settings.inactive = 20
settings.particles = 50000
settings.temperature = {"multipole": True, "method": "interpolation"}
point = openmc.stats.Point((0, 0, 0))
src = openmc.IndependentSource(space=point) # Source was deprecated and it said that IndependentSource was preferred.
settings.source = src
settings.export_to_xml()

tallies = openmc.Tallies()
mgxs_library = openmc_mgxslib.generate_openmc_tallies_xml([1e-5, 748.5, 5.5308e3, 24.7875e3, 0.4979e6, 2.2313e6, 20e6], 6, [fuel_mat], geom, tallies)

#openmc.run() # Used before the input parsing

Input File:

[TITLE]
  godiva_openmc.json

[MAT]
  1
  fuel_mat

[BRANCH]
  2
  fuel_mat            900 1 1 1 1
  fuel_mat            1200 2 1 1 1

[FILES]
  2
  statepoint.900.h5  openmc godiva_openmc_900.py summary.900.h5
  statepoint.1200.h5  openmc godiva_openmc_1200.py summary.1200.h5

Output:

{
  "fuel_mat": {
      "1200": {
          "BETA_EFF": [
              0.0013479328874237927,
              0.006967492815569392,
              0.006662378531992382,
              0.014980452683184708,
              0.006185780669768732,
              0.0025887417681020298
          ],
          "CHI_D": [
              0.004809526109315934,
              0.38523354014508626,
              0.5815938982198151,
              0.02705814752389195,
              0.001287967194123611,
              1.6920807767085327e-05
          ],
          "CHI_P": [
              0.35204067796316474,
              0.5198257797155467,
              0.12648480548441765,
              0.0014890020136668451,
              0.00015066478799014937,
              8.817408027798893e-06
          ],
          "CHI_T": [
              0.34979280230108517,
              0.5190903735269962,
              0.1293235561075548,
              0.0016233017887243154,
              0.00016070460416726674,
              9.01067875604564e-06
          ],
          "DECAY_CONSTANT": [
              0.013336176998594657,
              0.0327254618353869,
              0.12082517735113926,
              0.3032033227763606,
              0.8513219627189227,
              2.8585311502702324
          ],
          "DIFFCOEF": [
              1.6182274998401185,
              1.3642728170826015,
              0.8320405266913466,
              0.47149354286848477,
              0.37859622913474406,
              0.24662342775124388
          ],
          "FISSE": [
              193.4961292932816,
              193.4201252841644,
              193.40357471688122,
              193.4053366134499,
              193.40537155138682,
              193.40490127356847
          ],
          "FISSXS": [
              0.05681875825825768,
              0.05459421736631732,
              0.05989063772559673,
              0.11294273814778086,
              0.21003655994907477,
              0.5462213108029339
          ],
          "GTRANSFXS": [
              0.22297533231163758,
              0.06473700684651243,
              0.025494746342081185,
              0.00012158922962522632,
              1.7835373598058595e-05,
              1.7149397690440947e-06,
              0.0,
              0.24890051397716456,
              0.037612649690256794,
              0.00016779278544005614,
              1.3686567897544017e-05,
              1.1342459583600008e-06,
              0.0,
              0.0,
              0.4182846249650026,
              0.0005928935677351931,
              2.807852088832213e-05,
              6.239671308516024e-07,
              0.0,
              0.0,
              0.0,
              0.5611416177989257,
              0.0004900411079539684,
              0.0,
              0.0,
              0.0,
              0.0,
              0.0,
              0.5978057420724365,
              0.00029062019546545275,
              0.0,
              0.0,
              0.0,
              0.0,
              0.0,
              0.596995317950723
          ],
          "NSF": [
              0.1640887563798374,
              0.13935790334891593,
              0.1475426911619574,
              0.27305712757940975,
              0.5094169312840311,
              1.3270890801602042
          ],
          "RECIPVEL": [
              3.907802458936875e-10,
              7.172622496270246e-10,
              1.5763527517103987e-09,
              5.78055071193088e-09,
              1.2647622630278322e-08,
              3.541697580573283e-08
          ],
          "REMXS": [
              0.14636069574186267,
              0.03258761538964927,
              0.010312236818636855,
              0.1549538266064593,
              0.2923357653247477,
              0.7945967414514843
          ],
          "TOTXS": [
              0.36933602805350024,
              0.3462251362133263,
              0.49170425781597743,
              0.7169777199881855,
              0.8906911489675221,
              1.391886152750531
          ]
      },
      "900": {
          "BETA_EFF": [
              0.0013477713361262679,
              0.0069667815244903765,
              0.006661711171558475,
              0.014978986450907898,
              0.006185223565016153,
              0.0025885180877550065
          ],
          "CHI_D": [
              0.004816108092933141,
              0.38402391400673824,
              0.5856802013789721,
              0.02386435661906883,
              0.0015985756139615993,
              1.6844288325974322e-05
          ],
          "CHI_P": [
              0.3519712083405351,
              0.5196815853363649,
              0.12668408955805868,
              0.0014885401949253701,
              0.00016500443737073363,
              9.572132698102343e-06
          ],
          "CHI_T": [
              0.34973414403563124,
              0.518934845488141,
              0.1295304380302617,
              0.001614356008810987,
              0.0001764556951631939,
              9.76074194393403e-06
          ],
          "DECAY_CONSTANT": [
              0.013336178367893413,
              0.03272544257848398,
              0.12082523103059183,
              0.30320384982572396,
              0.8513242055280581,
              2.8585382538647544
          ],
          "DIFFCOEF": [
              1.6173834566424388,
              1.3649771588306194,
              0.832532085680547,
              0.4703894981397496,
              0.37537053465658565,
              0.2466560322416023
          ],
          "FISSE": [
              193.49611687720707,
              193.42016116893532,
              193.4035711786227,
              193.40533535036857,
              193.40537484654888,
              193.40528883089382
          ],
          "FISSXS": [
              0.056824395601165534,
              0.054599320358540586,
              0.059874071674284796,
              0.1133143820087574,
              0.20895953468659575,
              0.5505401846941079
          ],
          "GTRANSFXS": [
              0.2228272763898503,
              0.06487676994616874,
              0.0255169429779392,
              0.00012301955320388736,
              1.713364250750522e-05,
              2.741382801200833e-06,
              0.0,
              0.24901044262918903,
              0.03747253621834822,
              0.0001626484510271523,
              1.550834053147492e-05,
              8.321548577864581e-07,
              0.0,
              0.0,
              0.41817719524685815,
              0.0005780702327768786,
              2.6275919671676323e-05,
              6.256171350399119e-07,
              0.0,
              0.0,
              0.0,
              0.5614697598556467,
              0.00047028079639904497,
              0.0,
              0.0,
              0.0,
              0.0,
              0.0,
              0.5955691163233789,
              0.0,
              0.0,
              0.0,
              0.0,
              0.0,
              0.0,
              0.5651209691677761
          ],
          "NSF": [
              0.16409209454954332,
              0.1393737082256517,
              0.14750442373233597,
              0.2739559869142277,
              0.5068196900715216,
              1.3383945829450208
          ],
          "RECIPVEL": [
              3.9087078730945797e-10,
              7.170785092953576e-10,
              1.5751041684526634e-09,
              5.792145962218262e-09,
              1.2766578207104842e-08,
              3.893844194513065e-08
          ],
          "REMXS": [
              0.1465241546944975,
              0.03230783902029771,
              0.010384167333425842,
              0.15546259631531867,
              0.28971530681046687,
              0.8187096717946637
          ],
          "TOTXS": [
              0.3693514310843478,
              0.3461950515956555,
              0.4915508417765714,
              0.7177960944079733,
              0.8858136218329555,
              1.3838348401172338
          ]
      },
      "temp": [
          900,
          1200
      ]
  }
}

I did another test with a different material, and same temperature and it worked as it should.

importing where required rather than global to save compute for non-openmc based input functions Changed add_to_tallies_file to the newest non-deprecated version

rafainn · 2026-02-09T21:23:12Z

Compatible until openMC 0.15.3 - since not mentioned explicitly elsewhere.

smpark7 · 2026-02-09T23:00:28Z

Thanks @rafainn for also contributing to this PR. Yes SPN and TOTXS should be included. They're missing in the godiva files because the godiva test case was created before SPN and TOTXS were required for the new SN solver. (You can use this 1-D MSRE test case for an example that generates SPN and TOTXS)

I see now that there are some incompatibilities between Moltres and multigroup OpenMC (OpenMC-MG) regarding required group constants:

As you mentioned, OpenMC-MG requires absorption XS while Moltres uses removal XS. We originally used Serpent which provided removal XS directly. When we adopted OpenMC, we chose to continue using removal XS.
Moltres wants ScatterMatrixXS with nu=True but the default is nu = False. This may be why OpenMC gave tally merging errors when I tried to have it generate group constants for both Moltres and OpenMC-MG with mgxs_lib.add_to_tallies_file(tallies, merge=True) after running generate_openmc_tallies_xml(...).

One solution may be to stick with group constants that Moltres requires (as you have done) and let advanced users who want to use the same library for multigroup OpenMC add absorption, nu-scatter matrix, and multiplicity matrix.

I think you need the JEFF cross section library to get 8 delayed groups, but that's not a big deal.

…s_xs-Refactor-MGXS into devel

…t becomes deprecated in a future update, because no version other than latest has that new name, and it still works with the latest version.

… for advanced users to match moltres input-file generated list.

Jeremyb8707bigbrain · 2026-02-11T14:56:23Z

@smpark7 I got the SPN Stuff down, adding new constants is quite easy with the library method.
Is there anything else you need us to do?

…c_tallies_xml.

smpark7 · 2026-02-17T02:26:56Z

Thanks! I hope to have time next week to review this in detail.

…houldnt differ but I believe this is safer and matches the older code better.

… from my other file.

smpark7

Overall this looks decent. Your library setup and calculations are consistent with the previous class, but there are some key issues to address:

Multi-temperature group constant json file creation as a one-step process should be supported as a basic, not advanced, feature.
The new class should either support the previous way of defining the json file structure for multiple temperatures, domains, and burnups (see how .inp files are read in openmc_xs) or provide instructions for a new way. From my perspective, I don't know how exactly you used the append and dump functions to generate the json file for multi-temperature group constants. Imagine a new user tried to use this class. It should work exactly the same as the old class (and ideally replace it) or you have to provide a tutorial.
Check OpenMC version compatibilities; I doubt this will work for any version other than 0.15.3. I don't expect you to test it on every version (automated CI testing should be handling that). If you're not replacing openmc_xs, you'll need to write tests (see $MOLTRES/python/test/)

General code comments:

Eliminate empty lines as much as possible while following pep8 standards
In process_mgxslib, there are many intermediate variables that seem redundant e.g. nu_fission_sum, raw_nuscatter. Cut these down as much as possible.

I also added several other minor comments in my review.
If you're not planning to replace openmc_xs, you need to write tests and a tutorial to demonstrate how to use your new class.

smpark7 · 2026-03-15T00:08:51Z

python/moltres_xs.py

+                Energy groups to be used with OpenMC MGXS Tally creation, must include group edges.
+            delayed_groups: int
+                Delayed groups to be used with OpenMC MGXS Tally creation, must be an integer.
+                NOTE: May add support for lists for backwards compatibility at a later date.


Which versions does this break compatibility with? Is line 373-375 still true?

Compatibility wise I saw that openmc_xs used a list instead of an integer for its delayed groups, which I wanted to cater to a little bit because I know the backwards compatibility aspect of this refactor is important.

Would you like me to keep it as integer only? Or would you want me to accept ints and lists and just convert the lists to an integer. I only wanted to do this because I saw in the older code you used a list so users may not know to switch to an int perhaps? Just a thought

python/moltres_xs.py

smpark7 · 2026-03-15T00:55:18Z

python/moltres_xs.py

+    def dump_json(self, json_path: str):
+        """
+        This function is for advanced users who wish to bypass the input file.
+        Dumps the self.json_store dictionary into a JSON File.
+        Organization that matches reference JSON files is not 100% guaranteed.
+
+        Parameters
+        ----------
+        json_path: str
+            Output path for the JSON File.
+        Returns
+        ----------
+        JSON File.
+        """
+        if not self.json_store:
+            raise ValueError("JSON Store is empty")
+
+        with open(json_path, 'w') as f:
+            json.dump(self.json_store , f, indent=4)
+            print(f"Successfully Built and Dumped JSON at {json_path}")


What is this for? I don't think we need to cater to advanced users this way. They will know how to manipulate json files on their own.

smpark7 · 2026-03-15T00:58:15Z

python/moltres_xs.py

+        if version < 13.2:
+            raise Exception("moltres_xs.py is compatible with OpenMC " +
+                            "version 0.13.2 or later only.")


See above comment on version compatibility

smpark7 · 2026-03-15T01:55:39Z

python/moltres_xs.py

+
+                    # Sort temperatures to map them to branch indices deterministically
+                    # Assuming temps are numbers, or convertible to float. None is treated as 294K conceptually or handled separately
+                    temps_sorted = sorted(temps, key=lambda x: float(x) if x is not None else 294.0)


Is there any scenario where temps could be None?

Yes I ran a few scenarios myself where the user does not explicity set a material or simulation temperature, and OpenMC defaults it to 294K. For some reason that also means in the library the temperature definition is left as None. May require further testing to make sure that wasnt just a me thing but it has happened which is why I put that check there

smpark7 · 2026-03-15T02:03:47Z

python/moltres_xs.py

+                                    if arr.ndim == 3:
+                                        arr = arr[:,:,0]
+                                    else:
+                                        print(f"Legendre Order of 0 Detected, Only P0 scattering is available for material: {mat_name} , results may differ from higher-order consistent scattering.")


ndim will always be 3 unless the user edits the python script

I believe I put that check there for advanced users who may use their own library definition, would a P0 only Legendre still have an ndim of 3?

smpark7 · 2026-03-15T02:06:40Z

python/moltres_xs.py

+                            if mgxs_type == "chi-delayed":
+                                arr = arr.sum(axis = 0)
+                                denom = arr.sum()
+
+                                if denom!= 0:
+                                    arr = arr / denom
+                                else:
+                                    arr = np.zeros_like(arr)


What is the normalization for?

I noticed that when I did not normalize chi-delayed and only collapsed it, it never added up to 1 as it should and the numbers were off. After I did that normalization, it summed to 1 and matched the godiva reference data that I was working with. At the moment I cant tell you why that wasnt an issue for your code but I know that the normalization works here.

smpark7 · 2026-03-15T02:11:54Z

python/moltres_xs.py

+                            self.json_store[mat_name][str(temp)][mgxs_key] = arr.tolist()
+                            self.xs_lib[burn_idx][uni_idx][branch_idx][mgxs_key] = arr.tolist()
+
+                        existing_temps = set(self.json_store[mat_name].get("temp", [])) # Added this so advanced users get the same temp structure if doing multi-file


Multi-temperature group constant generation should be a default feature.

I believe I removed that line before then added it back because I was scared it would break things let me do some testing with that, and yes it is a default feature!

python/moltres_xs.py

Jeremyb8707bigbrain · 2026-03-15T13:32:13Z

Thank you very much for this review, me and Raf will do our best to fix some things up.
I do believe there is a bit of miscommunication on the advanced user features, which is my fault.

Multi-Temperature compatibility is a basic feature that everyone gets if they use the parser as done before, this is mostly handled by the parser and the reading of the input file, which automatically runs our process_mgxslib for each entry, so we snag the temperature that entry also.

As a catering feature, I also added the functions dump_json and append_to_json, which is for more advanced users who do not wish to use the input parser. This may be a bit chunky and too much work just for a small group of users who don't want to use it, so removing those 2 functions would definitely save a lot of space, and just require everyone to use the parser.

Example Beginner User Workflow:
run generate_openmc_tallies_xml in their own input file
put statepoint and summary paths and input file path on the input file and run it

Example Advanced User Workflow:
run generate_openmc_tallies_xml or use own library definition
inside of input file still they would make a cases dict for however many temperatures or materials they desire.
run build_json themselves with the cases dict
run dump_json to give them their file.
If at a later date they wish to not go through all that hassle again they can run append_to_json which preserves the proper file structure.

Writing that out it occurs to me that the advanced users workflow is a lot harder to do and catering more to beginners may work better with this function. If you would like for me to change/remove some of the advanced parameters/functions I would be happy to do so.

Edit:
We were planning to replace the openmc_xs class but wanted to make sure it was good with you if we deleted it here.
There is the also extra parameter of the geometry and the removal of the domain ids, so the documentation and tutorial may have to be updated for that

Jeremyb8707bigbrain · 2026-03-19T22:16:15Z

Moose doesnt like my new file where I deleted openmc_xs, even though I have LF line endings and no whitespace.

smpark7 · 2026-03-25T20:38:24Z

Thanks for continuing to work on this. I do see the value in your suggested "purely python input" approach as opposed to the current .inp input that was originally designed to cater to SCALE and Serpent workflows.

When you're done with making changes to moltres_xs.py, please also provide an example workflow or tutorial that I may review as well.

Jeremyb8707bigbrain · 2026-03-26T01:44:35Z

I would gladly do that, looking back on the file, the beginner workflow is much cleaner and uses preexisting infastructure so I will not be changing that.

However the advanced workflow should be modified. If we are assuming advanced users have a good grasp on python and data structures in python, we could just have some sort of added input inside of the input file that would change the parameter cleanup_h5 which is defaulting to true, as false.

There, instead of having to have those extra functions like dump_json and append_to_json, users could get their .h5 file directly and then manipulate the data as they choose. This would eliminate the confusion and allow a way simpler solution to satisfy advanced users. In my tutorial I could explain how advanced users can access the data from the .h5 and use it to their needs!

So when I finish working and create a workflow and tutorial, expect dump_json and append_to_json to be gone and the workflow to be a lot simpler. Both methods will use the input file, and the advanced one will spit out the corresponding .h5 files that were used to create the json. That way advanced users have their proper json for Moltres, and if they want extra data in it or want to extract new data from their library, it would work.

Would you prefer a more complicated, but all inside python workflow? Or still using the input file, but it is simpler?

Edit: I have a working prototype of this without the extra dump and append functions, saved about 70 lines while also offering up each mgxs.h5 file.

Example Input File for keeping the mgxs stores.
[TITLE]
cluster_14.5cm.json

[MAT]
2
Molten_Salt Graphite

[BRANCH]
4
Molten_Salt 900 1 1 101 1
Molten_Salt 1050 2 1 101 1
Graphite 900 1 1 102 1
Graphite 1050 2 1 102 1

[FILES]
2
statepoint.cluster.900.h5 openmc mgxs_generator_cluster_900.py summary.cluster.900.h5 false
statepoint.cluster.1050.h5 openmc mgxs_generator_cluster_1050.py summary.cluster.1050.h5 false

With the edition of the false parameter after each library file they would like to keep. This can be changed to whatever wording but false is what I had for testing

Jeremyb8707bigbrain added 4 commits February 2, 2026 14:37

Refactoring Draft for moltres_xs to incorporate OpenMC mgxs.Library()…

7ced480

… tallies. Includes a built in .json dump file that can be removed/configured. Issue arfc#319

Added openmc_mgxslib instead of replacing the original openmc_xs.

a17d35d

Changed to LF Line Endings.

b07e135

Trimmed Whitespace.

3fc5ce7

Jeremyb8707bigbrain added 5 commits February 3, 2026 12:15

Changed self.required_mgxs_types to a list instead of a set for order…

2c526d3

…ed sorting inside of the JSON.

Added multi file capabilities on 2 cases, which are listed. Also clea…

75b2ead

…ned up spacing, extra lines, and more type checking and error catching.

Added Print Statements as well as reworked some lines for readability…

254e5ca

…. Tweaked division by zero handling to be more readable and less complex.

Added a default cleanup behavior for the temporary mgxs.h5 file. Also…

19d9e6f

… added back the consistent nu-scatter matrix requirement because I was testing stuff and forgot to add that back.

Fixed legendre_order requirement to reflect scattering properly. Adju…

2e4c286

…sted the consistent nu-scatter matrix processing to allow all legendre_order types.

Jeremyb8707bigbrain and others added 2 commits February 7, 2026 10:27

Started working on Feedback.

1001032

Jeremyb8707bigbrain marked this pull request as draft February 8, 2026 23:00

Jeremyb8707bigbrain added 4 commits February 8, 2026 21:57

WIP: Got JSON made, need to get preferences from input file now

4d4f309

WIP: Testing TOTXS and REMXS

0a7e0c2

WIP: Fixed TOTXS and REMXS

675e4cc

Added compatibility with input files.

c1669ff

Local tests were ran and all files looked correct.

Jeremyb8707bigbrain marked this pull request as ready for review February 9, 2026 19:14

Jeremyb8707bigbrain mentioned this pull request Feb 9, 2026

[Bug]: Edit warning message in moltres_xs.py that it works with OpenMC 0.15.2 #317

Open

Added a version warning for untested versions; tested until opemc 0.15.3

d0b3c14

importing where required rather than global to save compute for non-openmc based input functions Changed add_to_tallies_file to the newest non-deprecated version

Jeremyb8707bigbrain added 4 commits February 9, 2026 20:35

Added SPN Calculation.

5f77d1a

Merge branch 'devel' of https://github.com/Jeremyb8707bigbrain/moltre…

0f50046

…s_xs-Refactor-MGXS into devel

Reverted to add_to_tallies_file, will change to add_to_tallies when i…

d40a0f3

…t becomes deprecated in a future update, because no version other than latest has that new name, and it still works with the latest version.

Added an actual SPN P0 Calculation if legendre = 0. Readded temp list…

59f3478

… for advanced users to match moltres input-file generated list.

Jeremyb8707bigbrain added 2 commits February 11, 2026 10:15

Fixed top version compatibility statement.

78cdd92

Added extra checks and user friendly compatibility for generate_openm…

8b14b0f

…c_tallies_xml.

Jeremyb8707bigbrain added 5 commits March 13, 2026 19:15

Fixed REMXS computation.

9fd17d2

Safer REMXS calculation using P0 (what the old solver did), results s…

19d5f41

…houldnt differ but I believe this is safer and matches the older code better.

Trimmed Whitepsace and back to LF line endings due to my copy pasting…

4d0ae87

… from my other file.

Fixed BETA_EFF Calculation to match reference data.

2fd31de

Trimmed whitespace.

90df9ee

smpark7 requested changes Mar 15, 2026

View reviewed changes

Jeremyb8707bigbrain added 2 commits March 19, 2026 17:04

WIP Changes in accordance to Dr. Park's requests.

50ac3a4

Indent Changes

69564c3

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