6bf74d179b
If geometry flags are specified rather that can't be cast to integers, intercept the ValueError raised by Python and raise a more sensible exception. Fixes #446
9 lines
652 B
Text
9 lines
652 B
Text
AR 0 136.500 3.330 0.000 0.000 0.000
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H 0.00 145.000 2.050 0.000 0.000 0.000
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H2 1.00 38.000 2.920 0.000 0.790 280.000
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H2O 2.00 572.400 2.605 1.844 0.000 4.000
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H2O2 2 107.400 3.458 0.000 0.000 3.800
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HO2 2 107.400 3.458 0.000 0.000 1.000 ! *
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O 0 80.000 2.750 0.000 0.000 0.000
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O2 1 107.400 3.458 0.000 1.600 3.800
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OH 1 80.000 2.750 0.000 0.000 0.000
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