votca 2024.2-dev
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votca::xtp::BSE Member List

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

AdjustHqpSize(const Eigen::MatrixXd &Hqp_in, const Eigen::VectorXd &RPAInputEnergies)votca::xtp::BSEprivate
Analyze_eh_interaction(const QMStateType &type, const Orbitals &orb) constvotca::xtp::BSEprivate
Analyze_singlets(std::vector< QMFragment< BSE_Population > > fragments, const Orbitals &orb) constvotca::xtp::BSE
Analyze_triplets(std::vector< QMFragment< BSE_Population > > fragments, const Orbitals &orb) constvotca::xtp::BSE
BSE(Logger &log, TCMatrix_gwbse &Mmn)votca::xtp::BSEinline
bse_cmin_votca::xtp::BSEprivate
bse_ctotal_votca::xtp::BSEprivate
bse_size_votca::xtp::BSEprivate
bse_vmax_votca::xtp::BSEprivate
bse_vtotal_votca::xtp::BSEprivate
configure(const options &opt, const Eigen::VectorXd &RPAEnergies, const Eigen::MatrixXd &Hqp_in)votca::xtp::BSE
configureBSEOperator(BSE_OPERATOR &H) constvotca::xtp::BSEprivate
dyn_tolerance_votca::xtp::BSEprivate
epsilon_0_inv_votca::xtp::BSEprivate
ExpectationValue_Operator(const QMStateType &type, const Orbitals &orb, const BSE_OPERATOR &H) constvotca::xtp::BSEprivate
ExpectationValue_Operator_State(const QMState &state, const Orbitals &orb, const BSE_OPERATOR &H) constvotca::xtp::BSEprivate
getHqp() constvotca::xtp::BSEinline
getSingletOperator_TDA() constvotca::xtp::BSE
getTripletOperator_TDA() constvotca::xtp::BSE
Hqp_votca::xtp::BSEprivate
log_votca::xtp::BSEprivate
max_dyn_iter_votca::xtp::BSEprivate
Mmn_votca::xtp::BSEprivate
opt_votca::xtp::BSEprivate
Perturbative_DynamicalScreening(const QMStateType &type, Orbitals &orb)votca::xtp::BSE
printFragInfo(const std::vector< QMFragment< BSE_Population > > &frags, Index state) constvotca::xtp::BSEprivate
PrintWeights(const Eigen::VectorXd &weights) constvotca::xtp::BSEprivate
printWeights(Index i_bse, double weight) constvotca::xtp::BSEprivate
SetupDirectInteractionOperator(const Eigen::VectorXd &DFTenergies, double energy)votca::xtp::BSEprivate
solve_hermitian(BSE_OPERATOR &h) constvotca::xtp::BSEprivate
Solve_nonhermitian(BSE_OPERATOR_ApB &apb, BSE_OPERATOR_AmB &) constvotca::xtp::BSEprivate
Solve_nonhermitian_Davidson(BSE_OPERATOR_A &Aop, BSE_OPERATOR_B &Bop) constvotca::xtp::BSEprivate
Solve_singlets(Orbitals &orb) constvotca::xtp::BSE
Solve_singlets_BTDA() constvotca::xtp::BSEprivate
Solve_singlets_TDA() constvotca::xtp::BSEprivate
Solve_triplets(Orbitals &orb) constvotca::xtp::BSE
Solve_triplets_BTDA() constvotca::xtp::BSEprivate
Solve_triplets_TDA() constvotca::xtp::BSEprivate