votca 2024.2-dev
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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::BSE | private |
Analyze_eh_interaction(const QMStateType &type, const Orbitals &orb) const | votca::xtp::BSE | private |
Analyze_singlets(std::vector< QMFragment< BSE_Population > > fragments, const Orbitals &orb) const | votca::xtp::BSE | |
Analyze_triplets(std::vector< QMFragment< BSE_Population > > fragments, const Orbitals &orb) const | votca::xtp::BSE | |
BSE(Logger &log, TCMatrix_gwbse &Mmn) | votca::xtp::BSE | inline |
bse_cmin_ | votca::xtp::BSE | private |
bse_ctotal_ | votca::xtp::BSE | private |
bse_size_ | votca::xtp::BSE | private |
bse_vmax_ | votca::xtp::BSE | private |
bse_vtotal_ | votca::xtp::BSE | private |
configure(const options &opt, const Eigen::VectorXd &RPAEnergies, const Eigen::MatrixXd &Hqp_in) | votca::xtp::BSE | |
configureBSEOperator(BSE_OPERATOR &H) const | votca::xtp::BSE | private |
dyn_tolerance_ | votca::xtp::BSE | private |
epsilon_0_inv_ | votca::xtp::BSE | private |
ExpectationValue_Operator(const QMStateType &type, const Orbitals &orb, const BSE_OPERATOR &H) const | votca::xtp::BSE | private |
ExpectationValue_Operator_State(const QMState &state, const Orbitals &orb, const BSE_OPERATOR &H) const | votca::xtp::BSE | private |
getHqp() const | votca::xtp::BSE | inline |
getSingletOperator_TDA() const | votca::xtp::BSE | |
getTripletOperator_TDA() const | votca::xtp::BSE | |
Hqp_ | votca::xtp::BSE | private |
log_ | votca::xtp::BSE | private |
max_dyn_iter_ | votca::xtp::BSE | private |
Mmn_ | votca::xtp::BSE | private |
opt_ | votca::xtp::BSE | private |
Perturbative_DynamicalScreening(const QMStateType &type, Orbitals &orb) | votca::xtp::BSE | |
printFragInfo(const std::vector< QMFragment< BSE_Population > > &frags, Index state) const | votca::xtp::BSE | private |
PrintWeights(const Eigen::VectorXd &weights) const | votca::xtp::BSE | private |
printWeights(Index i_bse, double weight) const | votca::xtp::BSE | private |
SetupDirectInteractionOperator(const Eigen::VectorXd &DFTenergies, double energy) | votca::xtp::BSE | private |
solve_hermitian(BSE_OPERATOR &h) const | votca::xtp::BSE | private |
Solve_nonhermitian(BSE_OPERATOR_ApB &apb, BSE_OPERATOR_AmB &) const | votca::xtp::BSE | private |
Solve_nonhermitian_Davidson(BSE_OPERATOR_A &Aop, BSE_OPERATOR_B &Bop) const | votca::xtp::BSE | private |
Solve_singlets(Orbitals &orb) const | votca::xtp::BSE | |
Solve_singlets_BTDA() const | votca::xtp::BSE | private |
Solve_singlets_TDA() const | votca::xtp::BSE | private |
Solve_triplets(Orbitals &orb) const | votca::xtp::BSE | |
Solve_triplets_BTDA() const | votca::xtp::BSE | private |
Solve_triplets_TDA() const | votca::xtp::BSE | private |