d_cutoff | dftefe::atoms::SphericalDataAnalytical | private |
d_cutoffTolerance | dftefe::atoms::SphericalDataAnalytical | private |
d_dim | dftefe::atoms::SphericalDataAnalytical | private |
d_func | dftefe::atoms::SphericalDataAnalytical | private |
d_polarAngleTolerance | dftefe::atoms::SphericalDataAnalytical | private |
d_qNumbers | dftefe::atoms::SphericalDataAnalytical | private |
d_radiusTolerance | dftefe::atoms::SphericalDataAnalytical | private |
d_smoothness | dftefe::atoms::SphericalDataAnalytical | private |
d_sphericalHarmonicFunc | dftefe::atoms::SphericalDataAnalytical | private |
getAngularDerivative(const std::vector< double > &r, const std::vector< double > &theta, const std::vector< double > &phi) override | dftefe::atoms::SphericalDataAnalytical | virtual |
getAngularValue(const std::vector< double > &r, const std::vector< double > &theta, const std::vector< double > &phi) override | dftefe::atoms::SphericalDataAnalytical | virtual |
getCutoff() const override | dftefe::atoms::SphericalDataAnalytical | virtual |
getGradientValue(const std::vector< utils::Point > &point, const utils::Point &origin) override | dftefe::atoms::SphericalDataAnalytical | virtual |
getGradientValue(const utils::Point &point, const utils::Point &origin) override | dftefe::atoms::SphericalDataAnalytical | virtual |
getHessianValue(const std::vector< utils::Point > &point, const utils::Point &origin) override | dftefe::atoms::SphericalDataAnalytical | virtual |
getHessianValue(const utils::Point &point, const utils::Point &origin) override | dftefe::atoms::SphericalDataAnalytical | virtual |
getQNumbers() const override | dftefe::atoms::SphericalDataAnalytical | virtual |
getRadialDerivative(const std::vector< double > &r) override | dftefe::atoms::SphericalDataAnalytical | virtual |
getRadialValue(const std::vector< double > &r) override | dftefe::atoms::SphericalDataAnalytical | virtual |
getSmoothness() const override | dftefe::atoms::SphericalDataAnalytical | virtual |
getValue(const std::vector< utils::Point > &point, const utils::Point &origin) override | dftefe::atoms::SphericalDataAnalytical | virtual |
getValue(const utils::Point &point, const utils::Point &origin) override | dftefe::atoms::SphericalDataAnalytical | virtual |
SphericalDataAnalytical(const std::vector< int > qNumbers, const utils::ScalarSpatialFunctionReal &function, const double cutoff, const double smoothness, const SphericalHarmonicFunctions &sphericalHarmonicFunc, const double polarAngleTolerance=SphericalDataDefaults::POL_ANG_TOL, const size_type dim=SphericalDataDefaults::DEFAULT_DIM) | dftefe::atoms::SphericalDataAnalytical | |
~SphericalData()=default | dftefe::atoms::SphericalData | |
~SphericalDataAnalytical()=default | dftefe::atoms::SphericalDataAnalytical | |