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1 parent d214021 commit 60be42cCopy full SHA for 60be42c
.gitignore
@@ -21,6 +21,7 @@ var/
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*.egg-info/
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.installed.cfg
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*.egg
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+libdftd3/
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# Local log files
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*~
pyscf/dftd3/itrf.py
@@ -317,8 +317,8 @@ def classify(mol_basis):
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break
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if (len(basis_types) > 1 and
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all(b == basis_type for b in basis_types)):
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- logger.warn('Mutliple types of basis found in mol.basis. '
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- 'Type %s is applied\n' % basis_type)
+ logger.warn(mol, 'Mutliple types of basis found in mol.basis. '
+ 'Type %s is applied\n', basis_type)
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else:
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basis_type = classify(mol.basis)
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return basis_type
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