pypi pymatgen 2024.11.13
v2024.11.13

21 hours ago
  • CP2K fixes (@janosh)
  • Fix borg.hive.SimpleVaspToComputedEntryDrone.assimilate ValueError when core file missing (@DanielYang59)
  • Revert breaking analysis.local_env default_op_params/cn_opt_params rename (@DanielYang59)
  • Added new Flag for AutoOxiStateDecorationTransformation (@jmmshn)
  • Fixed execution of packmol in relative path. (@davidwaroquiers)
  • Improve element mismatch handling with POTCAR for Poscar.from_file/str (@DanielYang59)
  • Preprocess Structure Reduction Before Bulk Match (@lan496)
  • Add min "thickness" check in CifParser to filter invalid structure which leads to infinite loop (@DanielYang59)

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