github materialsproject/pymatgen v2024.10.29

one day ago
  • VaspDir has been renamed and moved to pymatgen.io.common.PMGDir for more general support of all IO classes. Note that
    this is a backwards incompatible change. It should not affect many users since VaspDir was introduced only in the last
    one week.
  • Fixed execution of packmol in relative path. (@davidwaroquiers)
  • VaspDoc.get_incar_tags: Use Mediawiki API (@yantar92)
  • Fix comment pass in Kpoints constructors (@DanielYang59)

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