Read whole molecule directly from an XYZ and associated CHRG file

grimme-lab / MindlessGen

Mindless molecule generator in a Python package.

Apache License 2.0

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Closed marcelmbn closed 2 months ago

marcelmbn commented 2 months ago

read whole Molecule object directly from an XYZ and associated CHRG file without having to setup an empty or copy object before

marcelmbn commented 2 months ago

Done.