Home
last modified time | relevance | path

Searched refs:F_full (Results 1 – 4 of 4) sorted by relevance

/dports/science/ergo/ergo-3.8/source/test/
H A Dnaive_response_test.cc486 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()
H A Dsimple_ort_puri_test.cc252 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()
/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/mbptr12/
H A Dr12int_eval.cc772 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_()
/dports/science/ergo/ergo-3.8/source/densfromf/
H A DGetDensFromFock.cc163 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()