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Small bug fix
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pyscf/prop/dip_moment/mcpdft.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -34,7 +34,7 @@ def get_guage_origin(mol,origin):
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center = charges.dot(coords)/charges.sum()
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else:
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raise RuntimeError ("Gauge origin is not recognized")
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elif isinstance(center,str):
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elif isinstance(origin, tuple):
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center = origin
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else:
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raise RuntimeError ("Gauge origin must be a string or tuple")

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