Searched refs:F_full (Results 1 – 4 of 4) sorted by relevance
/dports/science/ergo/ergo-3.8/source/test/ |
H A D | naive_response_test.cc | 486 std::vector<ergo_real> F_full(n*n); in main() local 487 FockMatrix.fullMatrix(F_full, inversePermutationHML, inversePermutationHML); in main() 492 get_F_orbs(n, &F_full[0], &S_full[0], &MOs[0], &eigv[0]); in main()
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H A D | simple_ort_puri_test.cc | 252 std::vector<ergo_real> F_full(n*n); in get_density_mat_by_diagonalization() local 253 get_all_matrix_elements_symm(F, n, F_full); in get_density_mat_by_diagonalization() 259 memcpy(&A[0], &F_full[0], n*n*sizeof(ergo_real)); in get_density_mat_by_diagonalization()
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/ |
H A D | r12int_eval.cc | 772 double* F_full = new double[nrow*nrow]; in form_canonvir_space_() local 774 F_vir->convert(F_full); in form_canonvir_space_() 779 F_lowtri[ij] = F_full[rc]; in form_canonvir_space_() 785 delete[] F_full; in form_canonvir_space_()
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/dports/science/ergo/ergo-3.8/source/densfromf/ |
H A D | GetDensFromFock.cc | 163 std::vector<ergo_real> F_full(n *n); in get_dens_from_fock() local 172 tmpMat->fullMatrix(F_full); in get_dens_from_fock() 210 &F_full[0], in get_dens_from_fock()
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