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1 parent 43c75c7 commit 9dd39f8Copy full SHA for 9dd39f8
1 file changed
arc/species/converter.py
@@ -702,8 +702,7 @@ def check_zmat_dict(zmat: Union[dict, str]) -> dict:
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# add a trivial map
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zmat_dict['map'] = {i: i for i in range(len(zmat_dict['symbols']))}
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if len(zmat_dict['symbols']) != len(zmat_dict['map']):
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- raise ConverterError(f'Got {len(zmat_dict["symbols"])} symbols and {len(zmat_dict["isotopes"])} '
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- f'isotopes:\n{zmat_dict}')
+ raise ConverterError(f'Got {len(zmat_dict["symbols"])} symbols and {len(zmat_dict["map"])} Zmat::\n{zmat_dict}')
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for i, coord in enumerate(zmat_dict['coords']):
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for j, param in enumerate(coord):
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if param is not None:
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