Searched defs:Eorb (Results 1 – 6 of 6) sorted by relevance
| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
| H A D | pzstability.cpp | 915 …const std::vector<arma::cx_mat> & Forb, const arma::cx_mat & H0, const arma::vec & Eorb, const arm… in print_info()
994 arma::vec Eorb, worb; in print_info() local
1144 …ability::scaling_gradient_oo(arma::cx_mat & gOO, const arma::cx_mat & CO, const arma::vec & Eorb) { in scaling_gradient_oo()
1182 …scaling_gradient_ov(arma::cx_mat & gOV, const arma::cx_mat & CO, const arma::vec & Eorb, const arm… in scaling_gradient_ov()
1248 …onst arma::vec & x, rscf_t & sol, std::vector<arma::cx_mat> & Forb, arma::vec & Eorb, arma::vec & … in eval()
1409 arma::vec Eorb; in eval() local
1833 arma::vec Eorb, worb; in gradient() local
2065 arma::vec Eorb, worb; in eval() local
2595 arma::vec Eorb, worb; in update_reference() local
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| H A D | scf-base.cpp | 627 void SCF::PZSIC_Fock(std::vector<arma::cx_mat> & Forb, arma::vec & Eorb, const arma::cx_mat & Ctild… in PZSIC_Fock()
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| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
| H A D | pzstability.cpp | 903 …const std::vector<arma::cx_mat> & Forb, const arma::cx_mat & H0, const arma::vec & Eorb, const arm… in print_info()
975 arma::vec Eorb, worb; in print_info() local
1123 …ability::scaling_gradient_oo(arma::cx_mat & gOO, const arma::cx_mat & CO, const arma::vec & Eorb) { in scaling_gradient_oo()
1161 …scaling_gradient_ov(arma::cx_mat & gOV, const arma::cx_mat & CO, const arma::vec & Eorb, const arm… in scaling_gradient_ov()
1227 …onst arma::vec & x, rscf_t & sol, std::vector<arma::cx_mat> & Forb, arma::vec & Eorb, arma::vec & … in eval()
1388 arma::vec Eorb; in eval() local
1818 arma::vec Eorb, worb; in gradient() local
2050 arma::vec Eorb, worb; in eval() local
2576 arma::vec Eorb, worb; in update_reference() local
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| H A D | scf-base.cpp | 617 void SCF::PZSIC_Fock(std::vector<arma::cx_mat> & Forb, arma::vec & Eorb, const arma::cx_mat & Ctild… in PZSIC_Fock()
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| /dports/science/helfem/HelFEM-21461e9/src/general/ |
| H A D | scf_helpers.cpp | 286 …void sort_eig(arma::vec & Eorb, arma::mat & Cocc, arma::mat & Cvirt, const arma::mat & Fao, size_t… in sort_eig()
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| /dports/science/helfem/HelFEM-21461e9/src/sadatom/ |
| H A D | solver.cpp | 200 std::vector< std::vector<double> > Eorb(lmax+1); in Save() local
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