Searched refs:occlevels (Results 1 – 6 of 6) sorted by relevance
223 auto occlevels = mos_.eigenvectors().middleCols(bse_vmin_, bse_vtotal_); in TransitionDensityMatrix() local228 return occlevels * mat.transpose() * virtlevels.transpose(); in TransitionDensityMatrix()276 Eigen::MatrixXd occlevels = in DensityMatrixExcitedState_R() local278 dmatEX[0] = occlevels * CalcAuxMat_vv(coeffs) * occlevels.transpose(); in DensityMatrixExcitedState_R()346 Eigen::MatrixXd occlevels = in DensityMatrixExcitedState_AR() local348 dmatAR[1] = occlevels * CalcAuxMat_vv(coeffs) * occlevels.transpose(); in DensityMatrixExcitedState_AR()
223 auto occlevels = mos_.eigenvectors().middleCols(bse_vmin_, bse_vtotal_);228 return occlevels * mat.transpose() * virtlevels.transpose();276 Eigen::MatrixXd occlevels =278 dmatEX[0] = occlevels * CalcAuxMat_vv(coeffs) * occlevels.transpose();346 Eigen::MatrixXd occlevels =348 dmatAR[1] = occlevels * CalcAuxMat_vv(coeffs) * occlevels.transpose();
126 Index occlevels = 5;132 opt.numberofelectrons = occlevels * 2;217 for (Index i = occlevels; i < 17; i++) {
126 Index occlevels = 5; in BOOST_AUTO_TEST_CASE() local132 opt.numberofelectrons = occlevels * 2; in BOOST_AUTO_TEST_CASE()217 for (Index i = occlevels; i < 17; i++) { in BOOST_AUTO_TEST_CASE()
96 auto occlevels = orb.MOs().eigenvectors().middleCols(bse_vmin, bse_vtotal); in CalcExcitonAORepresentation() local116 occlevels * mat.transpose() * virtlevels.transpose(); in CalcExcitonAORepresentation()130 occlevels * mat.transpose() * virtlevels.transpose(); in CalcExcitonAORepresentation()