github materialsproject/pymatgen v2017.8.4

latest releases: v2024.5.1, v2024.4.13, v2024.4.12...
6 years ago
  • Major refactoring and improvements to lammps io. (Kiran)
  • Major improvements to BaderAnalysis. (Joey and Zhi)
  • Major improvements to Magmom support in cifs, SOC calculations, etc.
    (Matthew Horton)
  • Add remove_site_property function. Add magmom for Eu3+ and Eu2+.
  • BoltztrapAnalyzer/Plotter support for seebeck effective mass and complexity
    factor (fraricci)

Don't miss a new pymatgen release

NewReleases is sending notifications on new releases.