votca::xtp::GW Member List

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
CalculateQSGW()	votca::xtp::GW
competing_roots_	votca::xtp::GW	mutableprivate
configure(const options &opt)	votca::xtp::GW
Converged(const Eigen::VectorXd &e1, const Eigen::VectorXd &e2, double epsilon) const	votca::xtp::GW	private
core_exchange_	votca::xtp::GW	private
dft_energies_	votca::xtp::GW	private
DiagonalizeQPHamiltonian() const	votca::xtp::GW
DressForEnvironment()	votca::xtp::GW	private
dressing_	votca::xtp::GW	private
EvalStage typedef	votca::xtp::GW	private
getGWAResults() const	votca::xtp::GW
getHQP() const	votca::xtp::GW
getQSGWRotation() const	votca::xtp::GW	inline
getQSGWSeedEnergies() const	votca::xtp::GW	inline
getSigmaReac() const	votca::xtp::GW	inline
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
PrintCompetingRoots(Log::Level level) const	votca::xtp::GW	private
PrintGWA_Energies() const	votca::xtp::GW	private
PrintQP_Energies(const Eigen::VectorXd &qp_diag_energies) const	votca::xtp::GW	private
PrintQSGW_Composition(double threshold=0.01) const	votca::xtp::GW
PrintQSGW_Energies(const std::string &seed_label, const Eigen::VectorXd &seed_energies, const Eigen::VectorXd &qsgw_energies) const	votca::xtp::GW
PrintReactionFieldShifts() const	votca::xtp::GW	private
qp_iterations_	votca::xtp::GW	private
qp_midgap_	votca::xtp::GW	mutableprivate
QPIterations() const	votca::xtp::GW	inline
QPRootCandidate typedef	votca::xtp::GW	private
QPStats typedef	votca::xtp::GW	private
qptotal_	votca::xtp::GW	private
QPWindowDiagnostics typedef	votca::xtp::GW	private
qsgw_final_energies_	votca::xtp::GW	private
qsgw_rotation_	votca::xtp::GW	private
qsgw_seed_energies_	votca::xtp::GW	private
reaction_field_	votca::xtp::GW	private
RecordCompetingRoots(Index gw_level, const std::vector< QPRootCandidate > &roots, double chosen) const	votca::xtp::GW	inlineprivate
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
screening_builds_	votca::xtp::GW	private
ScreeningBuilds() const	votca::xtp::GW	inline
setCoreExchange(const Eigen::MatrixXd &X)	votca::xtp::GW	inline
setReactionField(const Eigen::MatrixXd &R)	votca::xtp::GW
sigma_	votca::xtp::GW	private
Sigma_c_	votca::xtp::GW	private
Sigma_reac_	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
SolveQP_Tracked(double intercept0, double frequency0, Index gw_level, QPStats *stats) const	votca::xtp::GW	private
timings_	votca::xtp::GW	mutableprivate
tracked_change_	votca::xtp::GW	mutableprivate
tracked_local_	votca::xtp::GW	mutableprivate
tracked_local_total_	votca::xtp::GW	mutableprivate
tracked_root_	votca::xtp::GW	mutableprivate
tracked_Z_	votca::xtp::GW	mutableprivate
TrackedLocalSolves() const	votca::xtp::GW	inline
tracking_active_	votca::xtp::GW	mutableprivate
vxc_	votca::xtp::GW	private