Scine::Sparrow
5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Additional Inherited Members | |
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SpectroscopySettings (std::string settingName) | |
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void | addResolutionOption (double minValue, double maxValue, double defaultValue) |
void | addFWHMOption (double defaultFwhm) |
void | addMethodOption () |
void | addPruningOption () |