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1 parent a99b4a4 commit 3d4f7eeCopy full SHA for 3d4f7ee
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exatomic/core/basis.py
@@ -188,7 +188,7 @@ def deduplicate_basis_sets(sets, sp=False):
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if sp: unique = _expand_sp(unique)
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sets = pd.concat(unique).reset_index(drop=True)
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try: sets.drop([2, 3], axis=1, inplace=True)
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- except ValueError: pass
+ except (KeyError, ValueError): pass
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sets.rename(columns={'center': 'set'}, inplace=True)
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sets['set'] = sets['set'].map(setmap)
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sets['frame'] = 0
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