Home
last modified time | relevance | path

Searched refs:rho_changed (Results 1 – 25 of 40) sorted by relevance

12

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_ks_types.F141 rho_changed = .TRUE., & component
347 s_mstruct_changed, rho_changed, & argument
372 LOGICAL, OPTIONAL :: s_mstruct_changed, rho_changed, & local
431 IF (PRESENT(rho_changed)) rho_changed = ks_env%rho_changed
604 s_mstruct_changed, rho_changed, & argument
623 LOGICAL, OPTIONAL :: s_mstruct_changed, rho_changed, & local
655 IF (PRESENT(rho_changed)) ks_env%rho_changed = rho_changed
658 IF (ks_env%s_mstruct_changed .OR. ks_env%potential_changed .OR. ks_env%rho_changed) &
939 SUBROUTINE qs_ks_did_change(ks_env, s_mstruct_changed, rho_changed, & argument
956 IF (PRESENT(rho_changed)) THEN
[all …]
H A Dqs_wf_history_methods.F567 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
617 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
649 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
695 rho_changed=.TRUE.)
739 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
799 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
859 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
937 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
H A Dqs_tddfpt_module.F105 CALL set_ks_env(ks_env, rho_changed=.FALSE.)
H A Dqs_force.F331 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
341 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
348 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
H A Dqs_ks_methods.F1079 rho_changed, s_mstruct_changed local
1100 rho_changed=rho_changed, &
1106 do_rebuild = do_rebuild .OR. rho_changed
1124 rho_changed=.FALSE., &
H A Dqs_environment_types.F517 … s_mstruct_changed, rho_changed, potential_changed, forces_up_to_date, mscfg_env, almo_scf_env, &
642 LOGICAL, OPTIONAL :: s_mstruct_changed, rho_changed, & local
759 rho_changed=rho_changed, &
H A Ddm_ls_scf_qs.F547 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
629 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
H A Dxas_tp_scf.F355 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
367 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
H A Doptbas_fenv_manipulation.F258 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
H A Dqs_scf.F1295 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
1569 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
1595 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
H A Dxas_restart.F416 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_ks_types.F141 rho_changed = .TRUE., & component
347 s_mstruct_changed, rho_changed, & argument
372 LOGICAL, OPTIONAL :: s_mstruct_changed, rho_changed, & local
431 IF (PRESENT(rho_changed)) rho_changed = ks_env%rho_changed
604 s_mstruct_changed, rho_changed, & argument
623 LOGICAL, OPTIONAL :: s_mstruct_changed, rho_changed, & local
655 IF (PRESENT(rho_changed)) ks_env%rho_changed = rho_changed
658 IF (ks_env%s_mstruct_changed .OR. ks_env%potential_changed .OR. ks_env%rho_changed) &
920 SUBROUTINE qs_ks_did_change(ks_env, s_mstruct_changed, rho_changed, & argument
937 IF (PRESENT(rho_changed)) THEN
[all …]
H A Dqs_wf_history_methods.F567 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
617 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
649 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
695 rho_changed=.TRUE.)
739 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
799 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
859 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
937 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
H A Dqs_tddfpt_module.F105 CALL set_ks_env(ks_env, rho_changed=.FALSE.)
H A Dqs_force.F332 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
342 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
349 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
H A Dqs_ks_methods.F1099 rho_changed, s_mstruct_changed local
1120 rho_changed=rho_changed, &
1126 do_rebuild = do_rebuild .OR. rho_changed
1144 rho_changed=.FALSE., &
H A Dqs_environment_types.F529 … s_mstruct_changed, rho_changed, potential_changed, forces_up_to_date, mscfg_env, almo_scf_env, &
656 LOGICAL, OPTIONAL :: s_mstruct_changed, rho_changed, & local
779 rho_changed=rho_changed, &
H A Ddm_ls_scf_qs.F547 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
629 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
H A Dxas_tp_scf.F355 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
367 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
H A Doptbas_fenv_manipulation.F258 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
H A Dqs_scf.F1329 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
1603 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
1629 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
H A Dxas_restart.F416 CALL qs_ks_did_change(qs_env%ks_env, rho_changed=.TRUE.)
H A Dqs_scf_loop_utils.F653 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/emd/
H A Drt_propagation_utils.F405 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
453 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
/dports/science/cp2k-data/cp2k-7.1.0/src/emd/
H A Drt_propagation_utils.F405 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)
451 CALL qs_ks_did_change(ks_env, rho_changed=.TRUE.)

12