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Cory Kinney
81633c31b7
If `permissive` is given, `float` geometry flags are cast to `int` and are accepted if the values are equal, otherwise, `InputError` is raised. If `permissive` is not given, existing behavior is unchanged. Add tests to check for correct behavior with and without permissive, for float rounding error, and for character inputs. Closes #1395
10 lines
660 B
Plaintext
10 lines
660 B
Plaintext
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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