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@awvwgk awvwgk commented Feb 7, 2022

  • wrap global variables in a derived type for namespacing
  • create calculator types for Turbomole, Orca and Mopac

@awvwgk awvwgk force-pushed the set branch 2 times, most recently from ffca28b to 8126170 Compare February 7, 2022 10:58
@awvwgk awvwgk merged commit b7dbd36 into grimme-lab:main Feb 7, 2022
@awvwgk awvwgk deleted the set branch February 7, 2022 12:11
@awvwgk awvwgk added this to the v6.5.0 milestone Apr 13, 2022
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