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votca 2025.1-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 |