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v23.6.2

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@github-actions github-actions released this 12 Aug 11:45
ddf3b23
  • Add snb-mag function, and automatically check the magnetisation from ISPIN = 2 OUTCAR files when continuing
    relaxations with snb-run (and change to ISPIN = 1 if magnetisation is negligible).
  • Update handling of minimum distances and oxidation states, to deal with single-atom primitive unit cells and
    systems where pymatgen cannot guess the oxidation state (e.g. single-elements, intermetallics etc).
  • Docs updates