votca 2024.2-dev
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votca::xtp::ActiveDensityMatrix Member List

This is the complete list of members for votca::xtp::ActiveDensityMatrix, including all inherited members.

activeatoms_votca::xtp::ActiveDensityMatrixprivate
ActiveDensityMatrix(Orbitals &orbitals, std::vector< Index > activeatoms, double threshold=0.4)votca::xtp::ActiveDensityMatrixinline
activedensitymatrix(const Eigen::MatrixXd &localized_mo_coeff)votca::xtp::ActiveDensityMatrix
compute_Dmat_A()votca::xtp::ActiveDensityMatrix
orbitals_votca::xtp::ActiveDensityMatrixprivate
threshold_votca::xtp::ActiveDensityMatrixprivate