Generalize `download_opls_xml` Function#1054

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shehan807 wants to merge 2 commits intomaterialsproject:mainfrom shehan807:main

+30-6

Commits on Nov 12, 2024

fixed copy bug; added options to input smiles, charge, and # of optimization iterations
Shehan M Parmar
committed
fixed pre-commit issues
Shehan M Parmar
committed