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Searched defs:gw_corr_lev_occ (Results 1 – 16 of 16) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Drpa_gw_ic.F67 gw_corr_lev_occ, gw_corr_lev_virt, homo, unit_nr, & argument
75 INTEGER, INTENT(IN) :: gw_corr_lev_tot, gw_corr_lev_occ, & local
297 SUBROUTINE print_Neaton_value(fm_mat_M_occ, unit_nr, gw_corr_lev_occ, para_env, do_homo, do_lumo) argument
299 INTEGER, INTENT(IN) :: unit_nr, gw_corr_lev_occ local
359 SUBROUTINE update_coeff_homo(coeff_homo, fm_mat_U_occ, para_env, homo, gw_corr_lev_occ, do_lumo) argument
364 INTEGER, INTENT(IN) :: homo, gw_corr_lev_occ local
683 …SUBROUTINE fill_fm_mat_M_occ(fm_mat_M_occ, mat_N_occ_dbcsr, matrix_s, Eigenval, gw_corr_lev_occ, h… argument
687 INTEGER, INTENT(IN) :: gw_corr_lev_occ, homo local
H A Drpa_gw.F135 SUBROUTINE allocate_matrices_gw_im_time(gw_corr_lev_occ, gw_corr_lev_virt, homo, nmo, & argument
283 gw_corr_lev_occ, gw_corr_lev_virt, homo, & argument
299 INTEGER, INTENT(IN) :: color_rpa_group, dimen_nm_gw, gw_corr_lev_occ, gw_corr_lev_virt, & local
515 gw_corr_lev_occ, vec_Sigma_x_minus_vxc_gw11) argument
522 gw_corr_lev_occ local
836 SUBROUTINE GW_matrix_operations(vec_Sigma_c_gw, dimen_nm_gw, dimen_RI, gw_corr_lev_occ, & argument
1226 SUBROUTINE compute_QP_energies(vec_Sigma_c_gw, count_ev_sc_GW, gw_corr_lev_occ, & argument
1624 INTEGER, INTENT(IN) :: homo, nmo, gw_corr_lev_occ, & local
3426 INTEGER, INTENT(IN) :: n_level_gw, gw_corr_lev_occ, & local
4356 gw_corr_lev_occ, gw_corr_lev_virt, gw_corr_lev_tot, & argument
[all …]
H A Drpa_gw_im_time_util.F83 gw_corr_lev_occ, gw_corr_lev_virt, homo, nmo, & argument
94 … INTEGER, INTENT(IN) :: gw_corr_lev_occ, gw_corr_lev_virt, homo, & local
H A Dmp2_gpw.F148 eri_method, gw_corr_lev_occ, gw_corr_lev_occ_beta, gw_corr_lev_virt, & local
763 gw_corr_lev_occ, gw_corr_lev_virt, only_mo_coeff_all) argument
772 INTEGER, INTENT(IN) :: gw_corr_lev_occ, gw_corr_lev_virt local
H A Drpa_main.F155 … Eigenval, nmo, homo, dimen_RI, dimen_RI_red, gw_corr_lev_occ, gw_corr_lev_virt, & argument
181 gw_corr_lev_occ, gw_corr_lev_virt, & local
1258 my_do_gw, do_bse, gw_corr_lev_occ, gw_corr_lev_virt, & argument
1286 INTEGER, INTENT(IN) :: gw_corr_lev_occ, gw_corr_lev_virt local
H A Drpa_gw_kpoints.F796 gw_corr_lev_occ, homo, & argument
806 INTEGER :: n_level_gw, jquad, gw_corr_lev_occ, homo local
H A Dmp2.F1275 INTEGER :: dimen, gw_corr_lev_occ, gw_corr_lev_virt, handle, homo, i_img, ikp, irep, ispin, & local
1782 INTEGER :: dimen, gw_corr_lev_occ, gw_corr_lev_virt, handle, homo, i_global, iiB, ikp, & local
H A Dmp2_integrals.F182 gw_corr_lev_occ, gw_corr_lev_virt, & argument
219 INTEGER, INTENT(IN) :: gw_corr_lev_occ, gw_corr_lev_virt local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Drpa_gw_ic.F91 … gw_corr_lev_occ, gw_corr_lev_virt, homo, nmo, dimen_RI, unit_nr, & argument
104 INTEGER, INTENT(IN) :: gw_corr_lev_tot, gw_corr_lev_occ, & local
622 SUBROUTINE print_Neaton_value(fm_mat_M_occ, unit_nr, gw_corr_lev_occ, para_env, do_homo, do_lumo) argument
624 INTEGER, INTENT(IN) :: unit_nr, gw_corr_lev_occ local
684 SUBROUTINE update_coeff_homo(coeff_homo, fm_mat_U_occ, para_env, homo, gw_corr_lev_occ, do_lumo) argument
689 INTEGER, INTENT(IN) :: homo, gw_corr_lev_occ local
1008 …SUBROUTINE fill_fm_mat_M_occ(fm_mat_M_occ, mat_N_occ_dbcsr, matrix_s, Eigenval, gw_corr_lev_occ, h… argument
1012 INTEGER, INTENT(IN) :: gw_corr_lev_occ, homo local
H A Drpa_gw_im_time_util.F88 … gw_corr_lev_occ, gw_corr_lev_virt, homo, nmo, mat_dm_virt_local, & argument
98 … INTEGER, INTENT(IN) :: gw_corr_lev_occ, gw_corr_lev_virt, homo, & local
308 gw_corr_lev_occ, gw_corr_lev_virt, homo, nmo, & argument
319 … INTEGER, INTENT(IN) :: gw_corr_lev_occ, gw_corr_lev_virt, homo, & local
574 gw_corr_lev_occ, gw_corr_lev_virt, homo, do_ic_opt_homo_lumo) argument
578 INTEGER, INTENT(IN) :: gw_corr_lev_occ, gw_corr_lev_virt, homo local
693 para_env, gw_corr_lev_occ, gw_corr_lev_virt, homo) argument
701 INTEGER, INTENT(IN) :: gw_corr_lev_occ, gw_corr_lev_virt, homo local
H A Drpa_gw.F171 INTEGER, INTENT(IN) :: cut_RI, gw_corr_lev_occ, & local
439 gw_corr_lev_occ, gw_corr_lev_virt, homo, & argument
455 INTEGER, INTENT(IN) :: color_rpa_group, dimen_nm_gw, gw_corr_lev_occ, gw_corr_lev_virt, & local
696 gw_corr_lev_occ, vec_Sigma_x_minus_vxc_gw11) argument
703 gw_corr_lev_occ local
1085 SUBROUTINE GW_matrix_operations(vec_Sigma_c_gw, dimen_nm_gw, dimen_RI, gw_corr_lev_occ, & argument
1469 SUBROUTINE GW_postprocessing(vec_Sigma_c_gw, count_ev_sc_GW, gw_corr_lev_occ, & argument
1859 INTEGER, INTENT(IN) :: homo, nmo, gw_corr_lev_occ, & local
3743 INTEGER, INTENT(IN) :: n_level_gw, gw_corr_lev_occ, & local
4683 gw_corr_lev_occ, gw_corr_lev_virt, gw_corr_lev_tot, & argument
[all …]
H A Drpa_gw_kpoints.F835 … gw_corr_lev_occ, gw_corr_lev_virt, dimen_RI, homo, nmo, cut_RI, mat_dm_virt_local, & argument
853 INTEGER :: gw_corr_lev_occ, gw_corr_lev_virt, & local
1025 cell_to_index_R2, gw_corr_lev_occ, gw_corr_lev_tot, & argument
1046 … INTEGER :: gw_corr_lev_occ, gw_corr_lev_tot, homo, & local
1239 gw_corr_lev_occ, homo, & argument
1249 INTEGER :: n_level_gw, jquad, gw_corr_lev_occ, homo local
2376 gw_corr_lev_occ, gw_corr_lev_virt, homo, nmo, cut_RI, num_3c_repl, & argument
2388 … INTEGER :: gw_corr_lev_occ, gw_corr_lev_virt, homo, & local
H A Drpa_main.F175 … Eigenval, nmo, homo, dimen_RI, dimen_RI_red, gw_corr_lev_occ, gw_corr_lev_virt, & argument
203 gw_corr_lev_occ, gw_corr_lev_virt, & local
1383 my_do_gw, do_bse, gw_corr_lev_occ, gw_corr_lev_virt, & argument
1412 INTEGER, INTENT(IN) :: gw_corr_lev_occ, gw_corr_lev_virt local
H A Dmp2.F1274 INTEGER :: dimen, gw_corr_lev_occ, gw_corr_lev_virt, handle, homo, i_img, ikp, irep, ispin, & local
1781 INTEGER :: dimen, gw_corr_lev_occ, gw_corr_lev_virt, handle, homo, i_global, iiB, ikp, & local
H A Dmp2_gpw.F165 dimen_RI, dimen_RI_red, eri_method, group_size_3c, group_size_P, gw_corr_lev_occ, & local
862 gw_corr_lev_occ, gw_corr_lev_virt, only_mo_coeff_all) argument
871 INTEGER, INTENT(IN) :: gw_corr_lev_occ, gw_corr_lev_virt local
H A Dmp2_integrals.F213 gw_corr_lev_occ, gw_corr_lev_virt, & argument
250 INTEGER, INTENT(IN) :: gw_corr_lev_occ, gw_corr_lev_virt local