Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Pages
Scine::Sparrow::RealTimeSpectroscopy::IntensitiesCalculator Member List

This is the complete list of members for Scine::Sparrow::RealTimeSpectroscopy::IntensitiesCalculator, including all inherited members.

calculateRelativeVibrationalIntensities() (defined in Scine::Sparrow::RealTimeSpectroscopy::IntensitiesCalculator)Scine::Sparrow::RealTimeSpectroscopy::IntensitiesCalculator
getAdsorptionCoefficients() const (defined in Scine::Sparrow::RealTimeSpectroscopy::IntensitiesCalculator)Scine::Sparrow::RealTimeSpectroscopy::IntensitiesCalculator
setSquaredNormalDipoleGradient(const Eigen::VectorXd &newSquaredNormalDipoleGradient) (defined in Scine::Sparrow::RealTimeSpectroscopy::IntensitiesCalculator)Scine::Sparrow::RealTimeSpectroscopy::IntensitiesCalculator
transformCartesianToSquaredNormalDipoleGradient(const Eigen::MatrixXd &massWeightedEigenvectors, const Eigen::MatrixX3d &cartesianDipoleMoment, const std::vector< double > &masses) (defined in Scine::Sparrow::RealTimeSpectroscopy::IntensitiesCalculator)Scine::Sparrow::RealTimeSpectroscopy::IntensitiesCalculatorstatic