votca 2024.2-dev
Loading...
Searching...
No Matches
votca::xtp::Populationanalysis< T > Member List

This is the complete list of members for votca::xtp::Populationanalysis< T >, including all inherited members.

CalcChargeperAtom(const Orbitals &orbitals, const QMState &state) constvotca::xtp::Populationanalysis< T >
CalcChargeperFragment(std::vector< QMFragment< BSE_Population > > &frags, const Orbitals &orbitals, QMStateType type) constvotca::xtp::Populationanalysis< T >
CalcChargeperFragmentTransition(std::vector< QMFragment< BSE_Population > > &frags, const Orbitals &orbitals, const Eigen::MatrixXd &dmat) constvotca::xtp::Populationanalysis< T >
CalcElecChargeperAtom(const Eigen::MatrixXd &dmat, AOOverlap &overlap, const AOBasis &basis) constvotca::xtp::Populationanalysis< T >private
CalcNucChargeperAtom(const QMMolecule &mol) constvotca::xtp::Populationanalysis< T >private