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mopac.ini not setup correctly #134

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paulsaxe opened this issue May 21, 2024 · 0 comments
Open

mopac.ini not setup correctly #134

paulsaxe opened this issue May 21, 2024 · 0 comments
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The MOPAC Step does not put all the needed information in ~/SEAMM/mopac.ini if it creates the file from scratch. It misses

  • The path to conda
  • The conda environment containing MOPAC, i.e. seamm-mopac
@paulsaxe paulsaxe added the bug Something isn't working label May 21, 2024
@paulsaxe paulsaxe self-assigned this May 21, 2024
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