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The base JdftxInputSet has been moved to pymatgen along with the BaseJdftxSet.yaml file. The details of the new pymatgen code are in materialsproject/pymatgen#4479

I made a few small changes related to the sets:

  • Correctly using self.config_dict to generate input sets instead of the _BEAST_CONFIG
  • Renamed _BEAST_CONFIG to _GENERATION_CONFIG
  • Renamed BeastConfig.yaml to GenerationConfig.yaml
  • Updated imports throughout the code to reference the pymatgen code

@cote3804 cote3804 merged commit 62d93e6 into main Aug 13, 2025
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2 participants