github materialsproject/pymatgen v2018.12.12

latest releases: v2024.5.1, v2024.4.13, v2024.4.12...
5 years ago
  • Support for IUPAC ordering of elements in Composition formulae (@utf)
  • Various bug fixes including returning integer miller indices, catching negative values in Composition and fixes to graph analysis (@utf), fix to Composition serialization (@jmmshen), defect analysis (@HanmeiTang), removing sites in surfaces (@yiming-xu), and fix to support the new PROCAR format in VASP (@dkorotin)
  • PMG_MAPI_ENDPOINT environment variable added to support different endpoints for the Materials Project REST interface (@mkhorton)

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