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TODO.md

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To do

Manage CAD geometry

Benchmarks API

  • UQ-TMC: Handle the NJOY dependency
  • UQ-TMC: separate the preparation of run from the execution of the tmc loops (xml files outside the loop, tmc-manager like this: openmc-dev/openmc#3508)
  • UQ-TMC: implement list of models in tmc engine
  • UQ-TMC: the first realization should be the original xs "mean" (baseline)
  • UQ-TMC: allow more options to user (e.g. library to perturb)
  • UQ-TMC: allow a list of nuclides to perturb
  • UQ-TMC: allow list of nuclides and perturbations from specifications file
  • Add capability of merging multiple surface results for oktavian (should happen only with surface tallies)
  • Add expected tally results shape in schema and specifications to deal with the point here above
  • Try to manage results as numpy arrays instead of pandas dataframes in OpenmcBenchmark.postprocess()
  • Should we use h5netcdf engine for saving/opening datasets in h5 files or stick with the default netcdf4?
  • Do we wanna use makefun decorator for wrapped methods (e.g. OpenmcBenchmark.run())?

Tests

  • Add tests to everything

Notebooks

  • Use specifications validation against schema function and script
  • Open and inspect a specifications file (just metadata)
  • Instantiate an OpenmcBenchmark object, build model, run simulation
  • Postprocessing and visualization

Documentation

  • introduction and motivation
  • V&V explanation
  • Definition of benchmark specifications
  • Benchmarks
    • Oktavian description
    • Oktavian results

Miscellanea

Questions