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Add keyword argument `rename_atoms` to `MoleculePreparation.prepare` and make option avail in CLI script #255

Merged

rwxayheee merged 9 commits into forlilab:develop from rwxayheee:molsetup_python_usage

Dec 4, 2024

Merged

Add keyword argument `rename_atoms` to `MoleculePreparation.prepare` and make option avail in CLI script #255

warn rename_atoms with warnings

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