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Searched defs:dimen_RI (Results 1 – 25 of 33) sorted by relevance

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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Drpa_util.F131 SUBROUTINE alloc_im_time(qs_env, para_env, dimen_RI, dimen_RI_red, num_integ_points, & argument
151 INTEGER, INTENT(IN) :: dimen_RI, dimen_RI_red, num_integ_points local
408 dimen_RI, dimen_RI_red, first_ikp_local, ikp_local, fm_struct_sub_kp) argument
604 INTEGER, INTENT(IN) :: jquad, mm_style, dimen_RI, dimen_ia local
780 INTEGER, INTENT(IN) :: mm_style, dimen_RI, dimen_ia local
839 SUBROUTINE RPA_postprocessing_start(dimen_RI, trace_Qomega, fm_mat_Q, para_env_RPA) argument
841 INTEGER, INTENT(IN) :: dimen_RI local
892 INTEGER, INTENT(IN) :: dimen_RI local
968 SUBROUTINE get_sub_para_kp(fm_struct_sub_kp, para_env, nkp, dimen_RI, & argument
972 INTEGER, INTENT(IN) :: nkp, dimen_RI local
[all …]
H A Dmp2_ri_2c.F325 dimen_RI, dimen_RI_red, para_env) argument
334 INTEGER, INTENT(IN) :: ngroup, dimen_RI local
483 INTEGER, INTENT(IN) :: dimen_RI local
704 INTEGER, INTENT(OUT) :: dimen_RI local
1134 my_group_L_end, dimen_RI) argument
1140 dimen_RI local
1358 SUBROUTINE cholesky_decomp(fm_matrix_L, dimen_RI, do_inversion) argument
1361 INTEGER, INTENT(IN) :: dimen_RI local
1406 dimen_RI, kpoints) argument
1410 INTEGER, INTENT(IN) :: dimen_RI local
[all …]
H A Drpa_kpoints.F95 …SUBROUTINE RPA_postprocessing_kp(dimen_RI, num_integ_points, jquad, nkp, count_ev_sc_GW, para_env,… argument
101 … INTEGER, INTENT(IN) :: dimen_RI, num_integ_points, jquad, nkp, & local
233 fm_mat_RI_global_work, dimen_RI, ikp, nkp, ikp_local, para_env) argument
239 INTEGER, INTENT(IN) :: dimen_RI, ikp, nkp local
376 SUBROUTINE cholesky_decomp_Q(cfm_mat_Q, para_env_RPA, trace_Qomega, dimen_RI) argument
381 INTEGER, INTENT(IN) :: dimen_RI local
433 dimen_RI, freq_weight, kp_weight) argument
439 INTEGER, INTENT(IN) :: dimen_RI local
H A Dbse.F377 … B_iaQ_bse_local, dimen_RI, homo, virtual, dimen_ia, & argument
385 INTEGER :: dimen_RI, homo, virtual, dimen_ia local
480 color_sub, small_size, big_size, dimen_RI, para_env) argument
485 … INTEGER :: color_sub, small_size, big_size, dimen_RI local
H A Dmp2_ri_gpw.F73 Eigenval, nmo, homo, dimen_RI, unit_nr, calc_forces, calc_ex, & argument
84 INTEGER, INTENT(IN) :: nmo, homo, dimen_RI, unit_nr local
1032 SUBROUTINE mp2_ri_allocate(local_ab, t_ab, mp2_env, homo, virtual, dimen_RI, my_B_size, & argument
1040 INTEGER, INTENT(IN) :: homo, virtual, dimen_RI, my_B_size, & local
1389 homo, dimen_RI, unit_nr, color_sub, & argument
1400 INTEGER, INTENT(IN) :: homo, dimen_RI, unit_nr, color_sub local
1550 Eigenval, homo, dimen_RI, iiB, jjB, my_B_size, & argument
1559 INTEGER, INTENT(IN) :: homo, dimen_RI, iiB, jjB, my_B_size, & local
2358 beta_beta, alpha_beta, Bib_C, unit_nr, dimen_RI, & argument
2372 INTEGER, INTENT(IN) :: unit_nr, dimen_RI, my_B_size, ngroup, & local
H A Drpa_axk.F94 SUBROUTINE compute_axk_ener(qs_env, fm_mat_Q, fm_mat_Q_gemm, dimen_RI, dimen_ia, & argument
102 INTEGER, INTENT(IN) :: dimen_RI, dimen_ia local
H A Drpa_gw_kpoints.F92 dimen_RI, num_integ_points, jquad, & argument
99 INTEGER :: dimen_RI, num_integ_points, jquad, ikp local
445 dimen_RI, num_integ_points, jquad, & argument
451 INTEGER :: dimen_RI, num_integ_points, jquad, ikp local
H A Dmp2_optimize_ri_basis.F117 INTEGER :: color_sub, comm_sub, dimen_RI, elements_ij_proc, handle, i, iiter, ikind, ipgf, & local
591 qs_env, nkind, natom, dimen, dimen_RI, homo, virtual, & argument
603 INTEGER :: nkind, natom, dimen, dimen_RI, homo, & local
725 qs_env, natom, dimen, dimen_RI, homo, virtual, & argument
735 INTEGER :: natom, dimen, dimen_RI, homo, virtual local
H A Drpa_main.F155 … Eigenval, nmo, homo, dimen_RI, dimen_RI_red, gw_corr_lev_occ, gw_corr_lev_virt, & argument
180 INTEGER, INTENT(IN) :: nmo, homo, dimen_RI, dimen_RI_red, & local
891 dimen_RI, dimen_ia, dimen_ia_for_block_size, color_rpa_group, & argument
905 INTEGER, INTENT(IN) :: color_sub, ngroup, integ_group_size, dimen_RI, dimen_ia, & local
1254 homo, virtual, dimen_RI, dimen_RI_red, dimen_ia, dimen_nm_gw, & argument
1277 INTEGER, INTENT(IN) :: unit_nr, homo, virtual, dimen_RI, & local
H A Dmp2_eri_gpw.F163 …SUBROUTINE mp2_eri_2c_integrate_gpw(qs_env, para_env_sub, dimen_RI, mo_coeff, my_group_L_start, my… argument
168 INTEGER, INTENT(IN) :: dimen_RI local
H A Dmp2_integrals.F173 … dimen_RI, dimen_RI_red, qs_env, para_env, para_env_sub, color_sub, & argument
193 INTEGER, INTENT(OUT) :: dimen_RI, dimen_RI_red local
1414 SUBROUTINE grep_Lcols(para_env, dimen_RI, fm_matrix_L, & argument
1417 INTEGER, INTENT(IN) :: dimen_RI local
H A Drpa_communication.F597 my_group_L_size, dimen_RI) argument
605 dimen_RI local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmp2_ri_2c.F327 dimen_RI, dimen_RI_red, para_env) argument
336 INTEGER, INTENT(IN) :: ngroup, dimen_RI local
485 INTEGER, INTENT(IN) :: dimen_RI local
706 INTEGER, INTENT(OUT) :: dimen_RI local
1136 my_group_L_end, dimen_RI) argument
1142 dimen_RI local
1360 SUBROUTINE cholesky_decomp(fm_matrix_L, dimen_RI, do_inversion) argument
1363 INTEGER, INTENT(IN) :: dimen_RI local
1408 dimen_RI, kpoints) argument
1412 INTEGER, INTENT(IN) :: dimen_RI local
[all …]
H A Drpa_kpoints.F95 …SUBROUTINE RPA_postprocessing_kp(dimen_RI, num_integ_points, jquad, nkp, count_ev_sc_GW, para_env,… argument
101 … INTEGER, INTENT(IN) :: dimen_RI, num_integ_points, jquad, nkp, & local
233 fm_mat_RI_global_work, dimen_RI, ikp, nkp, ikp_local, para_env) argument
239 INTEGER, INTENT(IN) :: dimen_RI, ikp, nkp local
376 SUBROUTINE cholesky_decomp_Q(cfm_mat_Q, para_env_RPA, trace_Qomega, dimen_RI) argument
381 INTEGER, INTENT(IN) :: dimen_RI local
433 dimen_RI, freq_weight, kp_weight) argument
439 INTEGER, INTENT(IN) :: dimen_RI local
H A Drpa_util.F205 INTEGER, INTENT(IN) :: dimen_RI, dimen_RI_red, num_integ_points local
747 dimen_RI, dimen_RI_red, first_ikp_local, ikp_local, fm_struct_sub_kp) argument
753 INTEGER, INTENT(IN) :: dimen_RI, dimen_RI_red, first_ikp_local local
1042 INTEGER, INTENT(IN) :: jquad, mm_style, dimen_RI, dimen_ia local
1214 INTEGER, INTENT(IN) :: mm_style, dimen_RI, dimen_ia local
1273 SUBROUTINE RPA_postprocessing_start(dimen_RI, trace_Qomega, fm_mat_Q, para_env_RPA) argument
1275 INTEGER, INTENT(IN) :: dimen_RI local
1326 INTEGER, INTENT(IN) :: dimen_RI local
1710 SUBROUTINE get_sub_para_kp(fm_struct_sub_kp, para_env, nkp, dimen_RI, & argument
1714 INTEGER, INTENT(IN) :: nkp, dimen_RI local
[all …]
H A Dbse.F377 … B_iaQ_bse_local, dimen_RI, homo, virtual, dimen_ia, & argument
385 INTEGER :: dimen_RI, homo, virtual, dimen_ia local
480 color_sub, small_size, big_size, dimen_RI, para_env) argument
485 … INTEGER :: color_sub, small_size, big_size, dimen_RI local
H A Dmp2_ri_gpw.F73 Eigenval, nmo, homo, dimen_RI, unit_nr, calc_forces, calc_ex, & argument
84 INTEGER, INTENT(IN) :: nmo, homo, dimen_RI, unit_nr local
1032 SUBROUTINE mp2_ri_allocate(local_ab, t_ab, mp2_env, homo, virtual, dimen_RI, my_B_size, & argument
1040 INTEGER, INTENT(IN) :: homo, virtual, dimen_RI, my_B_size, & local
1389 homo, dimen_RI, unit_nr, color_sub, & argument
1400 INTEGER, INTENT(IN) :: homo, dimen_RI, unit_nr, color_sub local
1550 Eigenval, homo, dimen_RI, iiB, jjB, my_B_size, & argument
1559 INTEGER, INTENT(IN) :: homo, dimen_RI, iiB, jjB, my_B_size, & local
2358 beta_beta, alpha_beta, Bib_C, unit_nr, dimen_RI, & argument
2372 INTEGER, INTENT(IN) :: unit_nr, dimen_RI, my_B_size, ngroup, & local
H A Drpa_axk.F94 SUBROUTINE compute_axk_ener(qs_env, fm_mat_Q, fm_mat_Q_gemm, dimen_RI, dimen_ia, & argument
102 INTEGER, INTENT(IN) :: dimen_RI, dimen_ia local
H A Drpa_gw_kpoints.F106 dimen_RI, num_integ_points, jquad, & argument
113 INTEGER :: dimen_RI, num_integ_points, jquad, ikp local
459 dimen_RI, num_integ_points, jquad, & argument
465 INTEGER :: dimen_RI, num_integ_points, jquad, ikp local
835 … gw_corr_lev_occ, gw_corr_lev_virt, dimen_RI, homo, nmo, cut_RI, mat_dm_virt_local, & argument
854 dimen_RI, homo, nmo, cut_RI local
1913 dimen_RI, nmo, RI_blk_sizes, prim_blk_sizes, matrix_s, cfm_mat_Q, & argument
1925 num_integ_points, dimen_RI, nmo local
2557 RI_blk_sizes, fm_mat_L, dimen_RI, qs_env, start_jquad, wkp_W) argument
2566 INTEGER :: dimen_RI local
H A Dmp2_integrals.F205 … dimen_RI, dimen_RI_red, qs_env, para_env, para_env_sub, color_sub, & argument
225 INTEGER, INTENT(OUT) :: dimen_RI, dimen_RI_red local
1553 SUBROUTINE grep_Lcols(para_env, dimen_RI, fm_matrix_L, & argument
1556 INTEGER, INTENT(IN) :: dimen_RI local
1814 my_group_L_ends_im_time, my_group_L_sizes_im_time, dimen_RI, & argument
1826 INTEGER, INTENT(IN) :: dimen_RI, cut_RI local
2524 SUBROUTINE reserve_blocks_3c(mat_3c_overl_int, mat_munu, qs_env, dimen_RI, & argument
2532 INTEGER, INTENT(IN) :: dimen_RI, cut_RI, unit_nr local
3358 dimen_RI, ngroup, cut_memory, cut_RI, color_sub, qs_env) argument
3363 INTEGER, INTENT(IN) :: dimen_RI, ngroup, cut_memory local
H A Dmp2_optimize_ri_basis.F117 INTEGER :: color_sub, comm_sub, dimen_RI, elements_ij_proc, handle, i, iiter, ikind, ipgf, & local
591 qs_env, nkind, natom, dimen, dimen_RI, homo, virtual, & argument
603 INTEGER :: nkind, natom, dimen, dimen_RI, homo, & local
725 qs_env, natom, dimen, dimen_RI, homo, virtual, & argument
735 INTEGER :: natom, dimen, dimen_RI, homo, virtual local
H A Dmp2_eri_gpw.F162 …SUBROUTINE mp2_eri_2c_integrate_gpw(qs_env, para_env_sub, dimen_RI, mo_coeff, my_group_L_start, my… argument
167 INTEGER, INTENT(IN) :: dimen_RI local
H A Drpa_main.F175 … Eigenval, nmo, homo, dimen_RI, dimen_RI_red, gw_corr_lev_occ, gw_corr_lev_virt, & argument
202 INTEGER, INTENT(IN) :: nmo, homo, dimen_RI, dimen_RI_red, & local
899 dimen_RI, dimen_ia, dimen_ia_for_block_size, color_rpa_group, & argument
913 INTEGER, INTENT(IN) :: color_sub, ngroup, integ_group_size, dimen_RI, dimen_ia, & local
1379 homo, virtual, dimen_RI, dimen_RI_red, dimen_ia, dimen_nm_gw, & argument
1403 INTEGER, INTENT(IN) :: unit_nr, homo, virtual, dimen_RI, & local
H A Drpa_communication.F597 my_group_L_size, dimen_RI) argument
605 dimen_RI local
H A Drpa_gw_ic.F91 … gw_corr_lev_occ, gw_corr_lev_virt, homo, nmo, dimen_RI, unit_nr, & argument
105 gw_corr_lev_virt, homo, nmo, dimen_RI, & local

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