votca 2024.2-dev
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This is the complete list of members for votca::xtp::GW, including all inherited members.
CalcHomoLumoShift(Eigen::VectorXd frequencies) const | votca::xtp::GW | private |
CalculateGWPerturbation() | votca::xtp::GW | |
CalculateHQP() | votca::xtp::GW | |
configure(const options &opt) | votca::xtp::GW | |
Converged(const Eigen::VectorXd &e1, const Eigen::VectorXd &e2, double epsilon) const | votca::xtp::GW | private |
dft_energies_ | votca::xtp::GW | private |
DiagonalizeQPHamiltonian() const | votca::xtp::GW | |
getGWAResults() const | votca::xtp::GW | |
getHQP() const | votca::xtp::GW | |
GW(Logger &log, TCMatrix_gwbse &Mmn, const Eigen::MatrixXd &vxc, const Eigen::VectorXd &dft_energies) | votca::xtp::GW | inline |
log_ | votca::xtp::GW | private |
Mmn_ | votca::xtp::GW | private |
opt_ | votca::xtp::GW | private |
PlotSigma(std::string filename, Index steps, double spacing, std::string states) const | votca::xtp::GW | |
PrintGWA_Energies() const | votca::xtp::GW | private |
PrintQP_Energies(const Eigen::VectorXd &qp_diag_energies) const | votca::xtp::GW | private |
qptotal_ | votca::xtp::GW | private |
rpa_ | votca::xtp::GW | private |
RPAInputEnergies() const | votca::xtp::GW | inline |
ScissorShift_DFTlevel(const Eigen::VectorXd &dft_energies) const | votca::xtp::GW | private |
sigma_ | votca::xtp::GW | private |
Sigma_c_ | votca::xtp::GW | private |
Sigma_x_ | votca::xtp::GW | private |
SolveQP(const Eigen::VectorXd &frequencies) const | votca::xtp::GW | private |
SolveQP_Bisection(double lowerbound, double f_lowerbound, double upperbound, double f_upperbound, const QPFunc &f) const | votca::xtp::GW | private |
SolveQP_FixedPoint(double intercept0, double frequency0, Index gw_level) const | votca::xtp::GW | private |
SolveQP_Grid(double intercept0, double frequency0, Index gw_level) const | votca::xtp::GW | private |
SolveQP_Linearisation(double intercept0, double frequency0, Index gw_level) const | votca::xtp::GW | private |
vxc_ | votca::xtp::GW | private |