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votca 2026-dev
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This is the complete list of members for votca::xtp::GW_UKS, including all inherited members.
| CalcSpinHomoLumoShift(const Eigen::VectorXd &frequencies, Spin spin) const | votca::xtp::GW_UKS | private |
| 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) const | votca::xtp::GW_UKS | private |
| dft_energies_alpha_ | votca::xtp::GW_UKS | private |
| dft_energies_beta_ | votca::xtp::GW_UKS | private |
| DftEnergies(Spin spin) const | votca::xtp::GW_UKS | private |
| DiagonalizeQPHamiltonianAlpha() const | votca::xtp::GW_UKS | |
| DiagonalizeQPHamiltonianBeta() const | votca::xtp::GW_UKS | |
| EvalStage typedef | votca::xtp::GW_UKS | private |
| getGWAResultsAlpha() const | votca::xtp::GW_UKS | |
| getGWAResultsBeta() const | votca::xtp::GW_UKS | |
| getHQPAlpha() const | votca::xtp::GW_UKS | |
| getHQPBeta() const | votca::xtp::GW_UKS | |
| gw_sc_iteration_ | votca::xtp::GW_UKS | private |
| 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) const | votca::xtp::GW_UKS | private |
| LevelLabel(Spin spin, Index level) const | votca::xtp::GW_UKS | private |
| log_ | votca::xtp::GW_UKS | private |
| Mmn_ | votca::xtp::GW_UKS | private |
| OccupationTag(Spin spin, Index level) const | votca::xtp::GW_UKS | private |
| opt_ | votca::xtp::GW_UKS | private |
| ppm_ | votca::xtp::GW_UKS | private |
| PrintGWA_Energies(Spin spin) const | votca::xtp::GW_UKS | private |
| PrintQP_Energies(Spin spin, const Eigen::VectorXd &qp_diag_energies) const | votca::xtp::GW_UKS | private |
| QPRootCandidate typedef | votca::xtp::GW_UKS | private |
| QPStats typedef | votca::xtp::GW_UKS | private |
| qptotal_ | votca::xtp::GW_UKS | private |
| QPWindowDiagnostics typedef | votca::xtp::GW_UKS | private |
| RefineQPInterval(double lowerbound, double f_lowerbound, double upperbound, double f_upperbound, const QPFunc &f, double reference) const | votca::xtp::GW_UKS | private |
| rpa_ | votca::xtp::GW_UKS | private |
| RPAInputEnergiesAlpha() const | votca::xtp::GW_UKS | |
| RPAInputEnergiesBeta() const | votca::xtp::GW_UKS | |
| ScissorShift_DFTlevel(const Eigen::VectorXd &dft_energies, Index homo) const | votca::xtp::GW_UKS | private |
| sigma_alpha_ | votca::xtp::GW_UKS | private |
| sigma_beta_ | votca::xtp::GW_UKS | private |
| Sigma_c_alpha_ | votca::xtp::GW_UKS | private |
| Sigma_c_beta_ | votca::xtp::GW_UKS | private |
| Sigma_x_alpha_ | votca::xtp::GW_UKS | private |
| Sigma_x_beta_ | votca::xtp::GW_UKS | private |
| SigmaC(Spin spin) | votca::xtp::GW_UKS | private |
| SigmaC(Spin spin) const | votca::xtp::GW_UKS | private |
| SigmaEvaluator(Spin spin) | votca::xtp::GW_UKS | private |
| SigmaEvaluator(Spin spin) const | votca::xtp::GW_UKS | private |
| SigmaX(Spin spin) | votca::xtp::GW_UKS | private |
| SigmaX(Spin spin) const | votca::xtp::GW_UKS | private |
| SolveQP(Spin spin, const Eigen::VectorXd &frequencies) const | votca::xtp::GW_UKS | private |
| SolveQP_FixedPoint(Spin spin, double intercept0, double frequency0, Index gw_level, QPStats *stats=nullptr) const | votca::xtp::GW_UKS | private |
| SolveQP_Grid(Spin spin, double intercept0, double frequency0, Index gw_level, QPStats *stats=nullptr) const | votca::xtp::GW_UKS | private |
| SolveQP_Grid_Windowed(Spin spin, 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_UKS | private |
| SolveQP_Grid_Windowed_Adaptive(Spin spin, 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_UKS | private |
| SolveQP_Grid_Windowed_Dense(Spin spin, 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_UKS | private |
| SolveQP_Linearisation(Spin spin, double intercept0, double frequency0, Index gw_level, QPStats *stats=nullptr) const | votca::xtp::GW_UKS | private |
| Spin enum name | votca::xtp::GW_UKS | private |
| SpinName(Spin spin) const | votca::xtp::GW_UKS | private |
| Vxc(Spin spin) const | votca::xtp::GW_UKS | private |
| vxc_alpha_ | votca::xtp::GW_UKS | private |
| vxc_beta_ | votca::xtp::GW_UKS | private |