github materialsproject/pymatgen v2018.7.17

latest releases: v2024.4.13, v2024.4.12, v2024.3.1...
5 years ago
  • Grain boundary generator (Xiangguo Li @ucsdlxg)
  • Massive updates to defect code and new DefectTransformation
    (@shyamd)
  • Bug fix for OUTCAR parsing with more than one space in
    electrostatic potential.
  • get_fermi_interextrapolated to support wider range of
    input doping (@albalu)
  • Update to cython compile to support Py3.7.
  • Update VoronoiNN cutoff dynamically (@computron)

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