github materialsproject/pymatgen v2018.11.30

latest releases: v2024.5.1, v2024.4.13, v2024.4.12...
5 years ago
  • MPRester.query now supports bulk queries for large scale requests.
    (@dwinston)
  • MVLRelax52Set which uses VASP 52 pseudopotentials. (@HanmeiTang)
  • EPH calculations in ABINIT (@gmatteo)
  • New ScaleToRelaxedTransformation (@richardtran415)
  • New dimensionality finder, and consolidation of existing algorithms (@utf)
  • New dopant predictor built on structure predictor (@utf)
  • Misc bug fixes (@HanmeiTang, @utf, @tamuhey, @mkhorton, @yiming-xu, @richardtran415)

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