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votca 2025.1-dev
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This is the complete list of members for votca::xtp::BSECoupling, including all inherited members.
| Addoutput(tools::Property &type_summary, const Orbitals &orbitalsA, const Orbitals &orbitalsB) const override | votca::xtp::BSECoupling | virtual |
| CalcJ_dimer(BSE_OPERATOR &H, Eigen::MatrixXd &projection) const | votca::xtp::BSECoupling | private |
| CalculateCouplings(const Orbitals &orbitalsA, const Orbitals &orbitalsB, const Orbitals &orbitalsAB) override | votca::xtp::BSECoupling | virtual |
| CalculateOverlapMatrix(const Orbitals &orbitalsAB) const | votca::xtp::CouplingBase | protected |
| CheckAtomCoordinates(const Orbitals &orbitalsA, const Orbitals &orbitalsB, const Orbitals &orbitalsAB) const | votca::xtp::CouplingBase | protected |
| doSinglets_ | votca::xtp::BSECoupling | private |
| doTriplets_ | votca::xtp::BSECoupling | private |
| Fulldiag(const Eigen::MatrixXd &J_dimer) const | votca::xtp::BSECoupling | private |
| getSingletCouplingElement(Index levelA, Index levelB, Index methodindex) const | votca::xtp::BSECoupling | private |
| getTripletCouplingElement(Index levelA, Index levelB, Index methodindex) const | votca::xtp::BSECoupling | private |
| Identify() const | votca::xtp::BSECoupling | inline |
| Initialize(tools::Property &options) override | votca::xtp::BSECoupling | virtual |
| JAB_singlet | votca::xtp::BSECoupling | private |
| JAB_triplet | votca::xtp::BSECoupling | private |
| levA_ | votca::xtp::BSECoupling | private |
| levB_ | votca::xtp::BSECoupling | private |
| occA_ | votca::xtp::BSECoupling | private |
| occB_ | votca::xtp::BSECoupling | private |
| OrthogonalizeCTs(Eigen::MatrixXd &FE_AB, Eigen::MatrixXd &CTStates) const | votca::xtp::BSECoupling | private |
| output_perturbation_ | votca::xtp::BSECoupling | private |
| Perturbation(const Eigen::MatrixXd &J_dimer) const | votca::xtp::BSECoupling | private |
| pLog_ | votca::xtp::CouplingBase | protected |
| ProjectExcitons(Eigen::MatrixXd &FE_AB, Eigen::MatrixXd &CTStates, BSE_OPERATOR H) const | votca::xtp::BSECoupling | private |
| ProjectFrenkelExcitons(const Eigen::MatrixXd &BSE_Coeffs, const Eigen::MatrixXd &X_AB, Index bseX_vtotal, Index bseX_ctotal, Index bseAB_vtotal, Index bseAB_ctotal) const | votca::xtp::BSECoupling | private |
| setLogger(Logger *pLog) | votca::xtp::CouplingBase | inline |
| SetupCTStates(Index bseA_vtotal, Index bseB_vtotal, Index bseAB_vtotal, Index bseAB_ctotal, const Eigen::MatrixXd &A_AB, const Eigen::MatrixXd &B_AB) const | votca::xtp::BSECoupling | private |
| unoccA_ | votca::xtp::BSECoupling | private |
| unoccB_ | votca::xtp::BSECoupling | private |
| WriteToProperty(tools::Property &summary, const QMState &stateA, const QMState &stateB) const | votca::xtp::BSECoupling | private |