votca 2026-dev
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votca::xtp::Vxc_Potential< Grid > Member List

This is the complete list of members for votca::xtp::Vxc_Potential< Grid >, including all inherited members.

cfuncvotca::xtp::Vxc_Potential< Grid >private
cfunc_idvotca::xtp::Vxc_Potential< Grid >private
EvaluateXC(double rho, double sigma) constvotca::xtp::Vxc_Potential< Grid >private
EvaluateXCSpin(double rho_a, double rho_b, double sigma_aa, double sigma_ab, double sigma_bb) constvotca::xtp::Vxc_Potential< Grid >private
getExactExchange(const std::string &functional)votca::xtp::Vxc_Potential< Grid >static
grid_votca::xtp::Vxc_Potential< Grid >private
GridWeightGradient(const Eigen::MatrixXd &density_matrix, const QMMolecule &atoms) constvotca::xtp::Vxc_Potential< Grid >
GridWeightGradientUKS(const Eigen::MatrixXd &dmat_alpha, const Eigen::MatrixXd &dmat_beta, const QMMolecule &atoms) constvotca::xtp::Vxc_Potential< Grid >
IntegrateVXC(const Eigen::MatrixXd &density_matrix) constvotca::xtp::Vxc_Potential< Grid >
IntegrateVXCSpin(const Eigen::MatrixXd &dmat_alpha, const Eigen::MatrixXd &dmat_beta) constvotca::xtp::Vxc_Potential< Grid >
PulayGradient(const Eigen::MatrixXd &density_matrix, const AOBasis &dftbasis) constvotca::xtp::Vxc_Potential< Grid >
PulayGradientUKS(const Eigen::MatrixXd &dmat_alpha, const Eigen::MatrixXd &dmat_beta, const AOBasis &dftbasis) constvotca::xtp::Vxc_Potential< Grid >
setXC_votca::xtp::Vxc_Potential< Grid >private
setXCfunctional(const std::string &functional)votca::xtp::Vxc_Potential< Grid >
use_separate_votca::xtp::Vxc_Potential< Grid >private
Vxc_Potential(const Grid &grid)votca::xtp::Vxc_Potential< Grid >inlineexplicit
xfuncvotca::xtp::Vxc_Potential< Grid >private
xfunc_idvotca::xtp::Vxc_Potential< Grid >private
~Vxc_Potential()votca::xtp::Vxc_Potential< Grid >