Append to 'mindless.molecules' and better printout per molecule

grimme-lab / MindlessGen

Mindless molecule generator in a Python package.

Apache License 2.0

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Closed marcelmbn closed 1 month ago

marcelmbn commented 1 month ago

mindless.molecules is extended for each successfully generated molecule
more sophisticated printout during the generation process; especially when num_molecules > 1
simplified exit code handling in entrypoint.py