github materialsproject/pymatgen v2020.3.13

latest releases: v2024.4.13, v2024.4.12, v2024.3.1...
4 years ago
  • Added angle_tolerance to CifWriter.
  • Change default float precision in CifWriter to 8. Adds float_prec kwarg to
    allow setting of arbitrary precision.
  • Rudimentary pymatgen.io.vasp.help.VaspDoc class for obtaining help from VASP wiki.
  • Massive documentation cleanup.
  • Reorganization of Entry, ComputedEntry (@ayushsgupta).
  • Bug fix for PourbaixDiagram (@montoyjh).

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