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2 parents b4da987 + e9deb5c commit d8972baCopy full SHA for d8972ba
pyscf/prop/dip_moment/mcpdft.py
@@ -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):
+ elif isinstance(origin, tuple):
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center = origin
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raise RuntimeError ("Gauge origin must be a string or tuple")
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