votca 2026-dev
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votca::xtp::GW_UKS Member List

This is the complete list of members for votca::xtp::GW_UKS, including all inherited members.

CalcSpinHomoLumoShift(const Eigen::VectorXd &frequencies, Spin spin) constvotca::xtp::GW_UKSprivate
CalculateGWPerturbation()votca::xtp::GW_UKS
CalculateHQP()votca::xtp::GW_UKS
configure(const options &opt)votca::xtp::GW_UKS
Converged(const Eigen::VectorXd &e1, const Eigen::VectorXd &e2, double epsilon) constvotca::xtp::GW_UKSprivate
dft_energies_alpha_votca::xtp::GW_UKSprivate
dft_energies_beta_votca::xtp::GW_UKSprivate
DftEnergies(Spin spin) constvotca::xtp::GW_UKSprivate
DiagonalizeQPHamiltonianAlpha() constvotca::xtp::GW_UKS
DiagonalizeQPHamiltonianBeta() constvotca::xtp::GW_UKS
getGWAResultsAlpha() constvotca::xtp::GW_UKS
getGWAResultsBeta() constvotca::xtp::GW_UKS
getHQPAlpha() constvotca::xtp::GW_UKS
getHQPBeta() constvotca::xtp::GW_UKS
GW_UKS(Logger &log, TCMatrix_gwbse_spin &Mmn, const Eigen::MatrixXd &vxc_alpha, const Eigen::MatrixXd &vxc_beta, const Eigen::VectorXd &dft_energies_alpha, const Eigen::VectorXd &dft_energies_beta)votca::xtp::GW_UKS
Homo(Spin spin) constvotca::xtp::GW_UKSprivate
LevelLabel(Spin spin, Index level) constvotca::xtp::GW_UKSprivate
log_votca::xtp::GW_UKSprivate
Mmn_votca::xtp::GW_UKSprivate
OccupationTag(Spin spin, Index level) constvotca::xtp::GW_UKSprivate
opt_votca::xtp::GW_UKSprivate
ppm_votca::xtp::GW_UKSprivate
PrintGWA_Energies(Spin spin) constvotca::xtp::GW_UKSprivate
PrintQP_Energies(Spin spin, const Eigen::VectorXd &qp_diag_energies) constvotca::xtp::GW_UKSprivate
qptotal_votca::xtp::GW_UKSprivate
rpa_votca::xtp::GW_UKSprivate
RPAInputEnergiesAlpha() constvotca::xtp::GW_UKS
RPAInputEnergiesBeta() constvotca::xtp::GW_UKS
ScissorShift_DFTlevel(const Eigen::VectorXd &dft_energies, Index homo) constvotca::xtp::GW_UKSprivate
sigma_alpha_votca::xtp::GW_UKSprivate
sigma_beta_votca::xtp::GW_UKSprivate
Sigma_c_alpha_votca::xtp::GW_UKSprivate
Sigma_c_beta_votca::xtp::GW_UKSprivate
Sigma_x_alpha_votca::xtp::GW_UKSprivate
Sigma_x_beta_votca::xtp::GW_UKSprivate
SigmaC(Spin spin)votca::xtp::GW_UKSprivate
SigmaC(Spin spin) constvotca::xtp::GW_UKSprivate
SigmaEvaluator(Spin spin)votca::xtp::GW_UKSprivate
SigmaEvaluator(Spin spin) constvotca::xtp::GW_UKSprivate
SigmaX(Spin spin)votca::xtp::GW_UKSprivate
SigmaX(Spin spin) constvotca::xtp::GW_UKSprivate
SolveQP(Spin spin, const Eigen::VectorXd &frequencies) constvotca::xtp::GW_UKSprivate
SolveQP_Bisection(double lowerbound, double f_lowerbound, double upperbound, double f_upperbound, const QPFunc &f) constvotca::xtp::GW_UKSprivate
SolveQP_FixedPoint(Spin spin, double intercept0, double frequency0, Index gw_level) constvotca::xtp::GW_UKSprivate
SolveQP_Grid(Spin spin, double intercept0, double frequency0, Index gw_level) constvotca::xtp::GW_UKSprivate
SolveQP_Linearisation(Spin spin, double intercept0, double frequency0, Index gw_level) constvotca::xtp::GW_UKSprivate
Spin enum namevotca::xtp::GW_UKSprivate
SpinName(Spin spin) constvotca::xtp::GW_UKSprivate
Vxc(Spin spin) constvotca::xtp::GW_UKSprivate
vxc_alpha_votca::xtp::GW_UKSprivate
vxc_beta_votca::xtp::GW_UKSprivate