AvogadroLibs  1.91.0
QTAIMWavefunctionEvaluator Member List

This is the complete list of members for QTAIMWavefunctionEvaluator, including all inherited members.

electronDensity(const Matrix< qreal, 3, 1 > xyz) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluator
electronDensityLaplacian(const Matrix< qreal, 3, 1 > xyz) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluator
gradientAndHessianOfElectronDensity(const Matrix< qreal, 3, 1 > xyz) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluator
gradientAndHessianOfElectronDensityLaplacian(const Matrix< qreal, 3, 1 > xyz) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluator
gradientOfElectronDensity(const Matrix< qreal, 3, 1 > xyz) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluator
gradientOfElectronDensityLaplacian(const Matrix< qreal, 3, 1 > xyz) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluator
hessianOfElectronDensity(const Matrix< qreal, 3, 1 > xyz) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluator
hessianOfElectronDensityLaplacian(const Matrix< qreal, 3, 1 > xyz) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluator
kineticEnergyDensityG(const Matrix< qreal, 3, 1 > xyz) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluator
kineticEnergyDensityK(const Matrix< qreal, 3, 1 > xyz) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluator
laplacianOfElectronDensity(const Matrix< qreal, 3, 1 > xyz) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluator
molecularOrbital(const qint64 mo, const Matrix< qreal, 3, 1 > xyz) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluator
QTAIMWavefunctionEvaluator(QTAIMWavefunction &wfn) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluatorexplicit
quantumStressTensor(const Matrix< qreal, 3, 1 > xyz) (defined in QTAIMWavefunctionEvaluator)QTAIMWavefunctionEvaluator