Rst-wham: Difference between revisions
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| <span style="color: purple;"><nowiki> | | <span style="color: purple;"><nowiki>P|Ppi|Pval</nowiki></span><br/> | ||
<span style="margin-left: 30px;">The first (optional) argument specifies the periodicity of the reaction coordinate. For a nonperiodic reaction coordinate (a distance, for example), it should be left out. "P" means that the reaction coordinate has a periodicity of 360, appropriate for angles. "Ppi" specifies a periodicity of 2*pi, appropriate for angles measured in radians. "Pval" specifies periodicty of some arbitrary amount, val, which should be an integer or floating point number. For example, "P180.0" would be appropriate for an angle with twofold symmetry.</span> | <span style="margin-left: 30px;">The first (optional) argument specifies the periodicity of the reaction coordinate. For a nonperiodic reaction coordinate (a distance, for example), it should be left out. "P" means that the reaction coordinate has a periodicity of 360, appropriate for angles. "Ppi" specifies a periodicity of 2*pi, appropriate for angles measured in radians. "Pval" specifies periodicty of some arbitrary amount, val, which should be an integer or floating point number. For example, "P180.0" would be appropriate for an angle with twofold symmetry.</span> | ||
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''' | '''File formats''' | ||
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