Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::RealTimeSpectroscopy::IntensitiesCalculator Class Reference
Collaboration diagram for Scine::Sparrow::RealTimeSpectroscopy::IntensitiesCalculator:
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Public Member Functions

const Eigen::VectorXd getAdsorptionCoefficients () const
 
void setSquaredNormalDipoleGradient (const Eigen::VectorXd &newSquaredNormalDipoleGradient)
 
Eigen::VectorXd calculateRelativeVibrationalIntensities ()
 

Static Public Member Functions

static Eigen::VectorXd transformCartesianToSquaredNormalDipoleGradient (const Eigen::MatrixXd &massWeightedEigenvectors, const Eigen::MatrixX3d &cartesianDipoleMoment, const std::vector< double > &masses)
 
The documentation for this class was generated from the following files: