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votca 2026-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 | |
| EvalStage typedef | votca::xtp::GW | private |
| 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 |
| gw_sc_iteration_ | votca::xtp::GW | private |
| 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 |
| QPRootCandidate typedef | votca::xtp::GW | private |
| QPStats typedef | votca::xtp::GW | private |
| qptotal_ | votca::xtp::GW | private |
| QPWindowDiagnostics typedef | votca::xtp::GW | private |
| RefineQPInterval(double lowerbound, double f_lowerbound, double upperbound, double f_upperbound, const QPFunc &f, double reference) const | 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_FixedPoint(double intercept0, double frequency0, Index gw_level, QPStats *stats=nullptr) const | votca::xtp::GW | private |
| SolveQP_Grid(double intercept0, double frequency0, Index gw_level, QPStats *stats=nullptr) const | votca::xtp::GW | private |
| SolveQP_Grid_Windowed(double intercept0, double frequency0, Index gw_level, double left_limit, double right_limit, bool allow_rejected_return=true, QPStats *stats=nullptr) const | votca::xtp::GW | private |
| SolveQP_Grid_Windowed_Adaptive(double intercept0, double frequency0, Index gw_level, double left_limit, double right_limit, bool allow_rejected_return=true, QPStats *stats=nullptr) const | votca::xtp::GW | private |
| SolveQP_Grid_Windowed_Dense(double intercept0, double frequency0, Index gw_level, double left_limit, double right_limit, bool allow_rejected_return=true, QPStats *stats=nullptr) const | votca::xtp::GW | private |
| SolveQP_Linearisation(double intercept0, double frequency0, Index gw_level, QPStats *stats=nullptr) const | votca::xtp::GW | private |
| vxc_ | votca::xtp::GW | private |