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Searched refs:do_im_time (Results 1 – 18 of 18) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Drpa_main.F251 IF (do_im_time) THEN
462 IF (.NOT. do_im_time) THEN
482 IF (do_im_time) THEN
593 IF (do_im_time) THEN
712 IF (.NOT. do_im_time) THEN
946 IF (PRESENT(do_im_time)) my_do_im_time = do_im_time
1423 IF (do_im_time) THEN
1434 IF (do_im_time) THEN
1637 IF (do_im_time) THEN
1874 IF (do_im_time) THEN
[all …]
H A Dmp2_gpw.F212 do_im_time = mp2_env%do_im_time
296 IF (do_im_time) THEN
344 do_im_time=do_im_time)
376 IF (.NOT. do_im_time) THEN
412 do_im_time, do_kpoints_cubic_RPA, kpoints, &
502 IF (.NOT. do_im_time) THEN
543 IF (do_im_time) THEN
589 IF (do_im_time) THEN
700 IF (my_do_gw .AND. .NOT. do_im_time) THEN
1141 IF (PRESENT(do_im_time)) THEN
[all …]
H A Dmp2_ri_2c.F151 do_im_time, do_kpoints, mp2_eps_pgf_orb_S, qs_kind_set, sab_orb_sub) argument
173 LOGICAL, INTENT(IN) :: do_im_time, do_kpoints local
195 num_small_eigen, potential, sab_orb_sub, do_im_time=do_im_time)
199 IF (ri_metric%potential_type == potential%potential_type .AND. .NOT. do_im_time) THEN
205 IF (do_im_time) THEN
277 IF (.NOT. do_im_time) THEN
695 sab_orb_sub, do_im_time, fm_matrix_L_extern) argument
715 LOGICAL, INTENT(IN), OPTIONAL :: do_im_time local
743 IF (PRESENT(do_im_time)) THEN
744 my_do_im_time = do_im_time
H A Dmp2_integrals.F183 do_im_time, do_kpoints_cubic_RPA, kpoints, & argument
220 LOGICAL, INTENT(IN) :: do_im_time, do_kpoints_cubic_RPA local
296 .AND. .NOT. do_im_time) THEN
331 IF (.NOT. do_im_time) THEN
387 CPASSERT(.NOT. do_im_time)
433 …do_im_time, do_kpoints_from_Gamma .OR. do_kpoints_cubic_RPA, qs_env%mp2_env%mp2_gpw%eps_pgf_orb_S,…
484 IF (.NOT. do_im_time) THEN
493 IF (.NOT. do_im_time) THEN
522 IF (my_do_gw .AND. .NOT. do_im_time) THEN
534 IF (.NOT. do_im_time) THEN
H A Drpa_gw.F854 LOGICAL, INTENT(IN) :: do_bse, do_im_time, do_periodic local
930 IF (.NOT. do_im_time) THEN
979 IF (do_im_time .AND. .NOT. (do_kpoints_cubic_RPA .OR. do_kpoints_from_Gamma)) THEN
1335 IF (do_im_time .AND. .NOT. do_kpoints_cubic_RPA) THEN
1374 IF (.NOT. do_im_time) THEN
1392 IF (my_open_shell .AND. .NOT. do_im_time) THEN
1445 fermi_level_offset, do_im_time)
1468 fermi_level_offset, do_im_time)
1476 fermi_level_offset, do_im_time, &
1496 IF (do_im_time .OR. mp2_env%ri_g0w0%iter_sc_GW0 == 1) THEN
[all …]
H A Dmp2_types.F203 LOGICAL :: do_im_time component
H A Dmp2_grids.F76 … do_im_time, do_ri_sos_laplace_mp2, do_print, tau_tj, tau_wj, qs_env, do_gw_im_time, & argument
85 LOGICAL, INTENT(IN) :: do_im_time, do_ri_sos_laplace_mp2, & local
202 IF (do_im_time .OR. do_ri_sos_laplace_mp2) THEN
H A Dmp2_setup.F184 l_val=mp2_env%do_im_time)
H A Dmp2.F289 IF (mp2_env%do_im_time .AND. mp2_env%eri_method .NE. do_eri_gpw) THEN
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Drpa_main.F463 IF (.NOT. do_im_time) THEN
483 IF (do_im_time) THEN
596 IF (do_im_time) THEN
716 IF (.NOT. do_im_time) THEN
959 IF (PRESENT(do_im_time)) my_do_im_time = do_im_time
1565 IF (do_im_time) THEN
1577 IF (do_im_time) THEN
1691 IF (.NOT. do_im_time) THEN
1799 IF (do_im_time) THEN
1944 IF (do_im_time) THEN
[all …]
H A Dmp2_gpw.F238 do_im_time = mp2_env%do_im_time
308 IF (do_im_time) THEN
380 sab_orb_all=sab_orb_all, do_im_time=do_im_time)
382 IF (do_im_time) THEN
422 IF (.NOT. do_im_time) THEN
548 IF (.NOT. do_im_time) THEN
590 IF (do_im_time) THEN
674 IF (do_im_time) THEN
1249 IF (PRESENT(do_im_time)) THEN
1250 my_do_im_time = do_im_time
[all …]
H A Dmp2_ri_2c.F152 … do_im_time, do_kpoints, mp2_eps_pgf_orb_S, atomic_kind_set, qs_kind_set, sab_orb_sub) argument
174 LOGICAL, INTENT(IN) :: do_im_time, do_kpoints local
197 num_small_eigen, potential, sab_orb_sub, do_im_time=do_im_time)
201 IF (ri_metric%potential_type == potential%potential_type .AND. .NOT. do_im_time) THEN
207 IF (do_im_time) THEN
279 IF (.NOT. do_im_time) THEN
697 sab_orb_sub, do_im_time, fm_matrix_L_extern) argument
717 LOGICAL, INTENT(IN), OPTIONAL :: do_im_time local
745 IF (PRESENT(do_im_time)) THEN
746 my_do_im_time = do_im_time
H A Dmp2_setup.F272 l_val=mp2_env%do_im_time)
278 l_val=mp2_env%do_im_time)
284 l_val=mp2_env%do_im_time, explicit=explicit_wfc)
290 l_val=mp2_env%do_im_time)
H A Dmp2_integrals.F214 do_im_time, do_mao, do_kpoints_cubic_RPA, kpoints, & argument
251 LOGICAL, INTENT(IN) :: do_im_time, do_mao, do_kpoints_cubic_RPA local
331 .AND. .NOT. do_im_time) THEN
366 IF (.NOT. do_im_time) THEN
422 CPASSERT(.NOT. do_im_time)
468 …do_im_time, do_kpoints_from_Gamma .OR. do_kpoints_cubic_RPA, qs_env%mp2_env%mp2_gpw%eps_pgf_orb_S,…
487 IF (.NOT. do_im_time) THEN
496 IF (.NOT. do_im_time) THEN
525 IF (my_do_gw .AND. .NOT. do_im_time) THEN
537 IF (.NOT. do_im_time) THEN
H A Dmp2_types.F249 LOGICAL :: do_im_time component
H A Drpa_gw.F1087 do_bse, do_im_time, do_periodic, & argument
1103 LOGICAL, INTENT(IN) :: do_bse, do_im_time, do_periodic local
1164 IF (.NOT. do_im_time) THEN
1213 IF (do_im_time .AND. .NOT. (do_kpoints_cubic_RPA .OR. do_kpoints_from_Gamma)) THEN
1586 IF (do_im_time .AND. .NOT. do_kpoints_cubic_RPA) THEN
1626 IF (.NOT. do_im_time) THEN
1644 IF (my_open_shell .AND. .NOT. do_im_time) THEN
1704 fermi_level_offset, do_im_time)
1711 fermi_level_offset, do_im_time)
1727 fermi_level_offset, do_im_time)
[all …]
H A Dmp2_weights.F74 … do_im_time, do_ri_sos_laplace_mp2, do_print, tau_tj, tau_wj, qs_env, do_gw_im_time, & argument
83 LOGICAL, INTENT(IN) :: do_im_time, do_ri_sos_laplace_mp2, & local
192 IF (do_im_time .OR. do_ri_sos_laplace_mp2) THEN
H A Dmp2.F290 IF (mp2_env%do_im_time .AND. mp2_env%eri_method .NE. do_eri_gpw) THEN