github materialsproject/pymatgen v2019.7.21

latest releases: v2024.5.1, v2024.4.13, v2024.4.12...
4 years ago
  • Add CubicSupercellTransformation and PerturbedSupercellsTransformation (@rees-c, @utf)
  • Add interface for ShengBTE (@rees-c, @utf)
  • Add interface for Vampire (@ncfrey)
  • mproved Lobster interface (@JaGeo)
  • Bug fixes (@sthartman, @dwinston, @utf)
  • New functionality for calculation of Heisenberg exchange parameters (@ncfrey)
  • Improvements to Miller indices handling and Lattice (@richardtran415)

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