votca 2024.2-dev
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This is the complete list of members for votca::xtp::Populationanalysis< T >, including all inherited members.
CalcChargeperAtom(const Orbitals &orbitals, const QMState &state) const | votca::xtp::Populationanalysis< T > | |
CalcChargeperFragment(std::vector< QMFragment< BSE_Population > > &frags, const Orbitals &orbitals, QMStateType type) const | votca::xtp::Populationanalysis< T > | |
CalcChargeperFragmentTransition(std::vector< QMFragment< BSE_Population > > &frags, const Orbitals &orbitals, const Eigen::MatrixXd &dmat) const | votca::xtp::Populationanalysis< T > | |
CalcElecChargeperAtom(const Eigen::MatrixXd &dmat, AOOverlap &overlap, const AOBasis &basis) const | votca::xtp::Populationanalysis< T > | private |
CalcNucChargeperAtom(const QMMolecule &mol) const | votca::xtp::Populationanalysis< T > | private |