github materialsproject/pymatgen v2020.7.3

latest releases: v2024.5.1, v2024.4.13, v2024.4.12...
3 years ago
  • Make Slabs properly serializable in as_dict. Fixes #1892.
  • Fixes for Critic2Caller (@yuuukuma)
  • Add cost data for He, H, Ar, Ne, Kr, Tc (@computron)
  • Parse scientific notation in OUTCAR (possibly without spaces in between)
  • Spin support for boltztrap2 (@fraricci)
  • New static method to generate basis functions Lobster (@JaGeo)
  • SLME and spillage analysis (@knc6)

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