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Searched refs:n_rep_hf (Results 1 – 16 of 16) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmp2_cphf.F341 DO irep = 1, n_rep_hf
394 hfx_sections, n_rep_hf, poisson_env, &
404 hfx_sections, n_rep_hf, poisson_env, &
424 hfx_sections, n_rep_hf, poisson_env, &
442 hfx_sections, n_rep_hf, poisson_env, &
450 hfx_sections, n_rep_hf, poisson_env, &
470 hfx_sections, n_rep_hf, poisson_env, &
499 hfx_sections, n_rep_hf, &
505 hfx_sections, n_rep_hf, &
604 hfx_sections, n_rep_hf, poisson_env, &
[all …]
H A Dxc_adiabatic_utils.F80 handle, n_rep_hf, nimages local
115 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
132 IF (n_rep_hf /= 2) &
H A Drpa_axk.F403 INTEGER :: aux, handle, irep, kkb, n_rep_hf, ns local
420 CALL hfx_create_subgroup(qs_env, para_env_sub, hfx_sections, x_data, n_rep_hf)
450 DO irep = 1, n_rep_hf
491 SUBROUTINE hfx_create_subgroup(qs_env, para_env_sub, hfx_section, x_data, n_rep_hf) argument
496 INTEGER, INTENT(OUT) :: n_rep_hf local
528 CALL section_vals_get(hfx_section, explicit=do_hfx, n_repetition=n_rep_hf)
H A Dhfx_admm_utils.F124 INTEGER :: handle, n_rep_hf, natoms, nspins local
175 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
176 IF (n_rep_hf > 1) &
338 n_rep_hf, nimages, ns, nspins local
395 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
413 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
422 ALLOCATE (hf_energy(n_rep_hf))
424 DO irep = 1, n_rep_hf
1378 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
1382 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
[all …]
H A Drpa_rse.F106 j_global, jjB, n_rep_hf, ncol_local, & local
153 CALL section_vals_get(hfx_sections, explicit=do_hfx, n_repetition=n_rep_hf)
226 hfx_sections, n_rep_hf, &
232 hfx_sections, n_rep_hf, &
387 hfx_sections, n_rep_hf, & argument
397 INTEGER :: n_rep_hf local
436 DO irep = 1, n_rep_hf
464 DO irep = 1, n_rep_hf
H A Dmp2.F155 ispin, max_nset, my_bin_size, n_rep_hf, n_threads, nao, natom, ncol_block, ndep, & local
475 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
479 DO irep = 1, n_rep_hf
756 DO irep = 1, n_rep_hf
1153 INTEGER :: handle, i, irep, n_rep_hf, ns local
1191 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
1218 DO irep = 1, n_rep_hf
1276 iunit, myfun, myfun_aux, myfun_prim, n_level_gw, n_level_gw_ref, n_rep_hf, nkp, nmo, ns, & local
1547 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
1555 DO irep = 1, n_rep_hf
H A Dhfx_types.F526 INTEGER :: n_rep_hf component
600 INTEGER :: handle, i, i_thread, iatom, ikind, int_val, irep, jkind, max_set, n_rep_hf, & local
617 CALL section_vals_get(hfx_section, n_repetition=n_rep_hf)
624 ALLOCATE (x_data(n_rep_hf, n_threads))
626 DO irep = 1, n_rep_hf
633 actual_x_data%n_rep_hf = n_rep_hf
985 DO irep = 1, n_rep_hf
1791 INTEGER :: i, i_thread, irep, n_rep_hf, n_threads local
1797 n_rep_hf = x_data(1, 1)%n_rep_hf
1806 DO irep = 1, n_rep_hf
H A Dresponse_solver.F311 … INTEGER :: handle, iounit, ispin, mspin, n_rep_hf, & local
767 CALL section_vals_get(hfx_section, n_repetition=n_rep_hf)
768 CPASSERT(n_rep_hf == 1)
H A Dqs_linres_methods.F1649 INTEGER :: handle, irep, ispin, mspin, n_rep_hf, & local
1673 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
1677 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
1686 DO irep = 1, n_rep_hf
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmp2_cphf.F341 DO irep = 1, n_rep_hf
394 hfx_sections, n_rep_hf, poisson_env, &
404 hfx_sections, n_rep_hf, poisson_env, &
424 hfx_sections, n_rep_hf, poisson_env, &
442 hfx_sections, n_rep_hf, poisson_env, &
450 hfx_sections, n_rep_hf, poisson_env, &
470 hfx_sections, n_rep_hf, poisson_env, &
499 hfx_sections, n_rep_hf, &
505 hfx_sections, n_rep_hf, &
604 hfx_sections, n_rep_hf, poisson_env, &
[all …]
H A Dhfx_admm_utils.F108 INTEGER :: handle, n_rep_hf, natoms, nspins local
165 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
166 IF (n_rep_hf > 1) &
218 n_rep_hf, nimages, ns, nspins local
270 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
289 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
298 ALLOCATE (hf_energy(n_rep_hf))
300 DO irep = 1, n_rep_hf
1007 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
1011 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
[all …]
H A Dxc_adiabatic_utils.F80 handle, n_rep_hf, nimages local
114 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
131 IF (n_rep_hf /= 2) &
H A Drpa_axk.F403 INTEGER :: aux, handle, irep, kkb, n_rep_hf, ns local
420 CALL hfx_create_subgroup(qs_env, para_env_sub, hfx_sections, x_data, n_rep_hf)
450 DO irep = 1, n_rep_hf
491 SUBROUTINE hfx_create_subgroup(qs_env, para_env_sub, hfx_section, x_data, n_rep_hf) argument
496 INTEGER, INTENT(OUT) :: n_rep_hf local
528 CALL section_vals_get(hfx_section, explicit=do_hfx, n_repetition=n_rep_hf)
H A Drpa_rse.F106 j_global, jjB, n_rep_hf, ncol_local, & local
153 CALL section_vals_get(hfx_sections, explicit=do_hfx, n_repetition=n_rep_hf)
226 hfx_sections, n_rep_hf, &
232 hfx_sections, n_rep_hf, &
387 hfx_sections, n_rep_hf, & argument
397 INTEGER :: n_rep_hf local
436 DO irep = 1, n_rep_hf
464 DO irep = 1, n_rep_hf
H A Dhfx_types.F408 INTEGER :: n_rep_hf component
477 INTEGER :: handle, i, i_thread, iatom, ikind, int_val, irep, jkind, max_set, n_rep_hf, & local
490 CALL section_vals_get(hfx_section, n_repetition=n_rep_hf)
493 ALLOCATE (x_data(n_rep_hf, n_threads))
495 DO irep = 1, n_rep_hf
502 actual_x_data%n_rep_hf = n_rep_hf
839 DO irep = 1, n_rep_hf
1124 INTEGER :: i, i_thread, irep, n_rep_hf, n_threads local
1129 n_rep_hf = x_data(1, 1)%n_rep_hf
1139 DO irep = 1, n_rep_hf
H A Dmp2.F158 ispin, max_nset, my_bin_size, n_rep_hf, n_threads, nao, natom, ncol_block, nelec_alpha, & local
476 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
480 DO irep = 1, n_rep_hf
757 DO irep = 1, n_rep_hf
1154 INTEGER :: handle, i, irep, n_rep_hf, ns local
1192 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
1217 DO irep = 1, n_rep_hf
1275 iunit, myfun, myfun_aux, myfun_prim, n_level_gw, n_level_gw_ref, n_rep_hf, nkp, nmo, ns, & local
1546 CALL section_vals_get(hfx_sections, n_repetition=n_rep_hf)
1554 DO irep = 1, n_rep_hf