github materialsproject/pymatgen v2022.4.26

latest releases: v2024.4.13, v2024.4.12, v2024.3.1...
2 years ago
  • Fix dipole units in recent vasp versions (at least 6.3, maybe even before) (@@fraricci)
  • Removed complex numbers from the definition of WSWQ (@jmmshn)
  • MP database version logging is now no longer logged in the .pmgrc.yaml but rather in the .mprester.log.yaml.
    This avoids the MPRester constantly rewriting a config file and causing users' pymatgen to completely fail.

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