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xtb-python version 20.2
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@awvwgk awvwgk released this 05 Nov 12:09
v20.2
fdb05a7
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Learn about vigilant mode.
  • OSX support
  • support external charge potentials
  • allow usage of IPEA-xTB parametrisation (requires XTBPATH set correctly)
  • ASE support: fit calculator setup in tests
  • QCSchema support: preserve fields present in extra
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