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Changed the uhf value when xtb calculates with lanthanides #60

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merged 9 commits into from
Oct 10, 2024

check_ligand_uhf now returns nothing but raises a ValueError

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Merged

Changed the uhf value when xtb calculates with lanthanides #60

check_ligand_uhf now returns nothing but raises a ValueError
83059ad
Select commit
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Failed to load commit list.

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