| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_current_utils.F | 211 nbr_center=nbr_center, &
387 max_nbr_center = MAXVAL(nbr_center(1:nspins))
461 DO jcenter = 1, nbr_center(ispin)
892 current_env%nbr_center(ispin) = nstate
905 current_env%nbr_center(ispin) = 1
959 current_env%nbr_center(ispin) = ii - 1
1020 current_env%nbr_center(ispin) = ii - 1
1047 DO icenter = 1, current_env%nbr_center(ispin)
1081 DO istate = 1, current_env%nbr_center(ispin)
1101 DO istate = 1, current_env%nbr_center(ispin)
[all …]
|
| H A D | qs_linres_types.F | 104 … :: ref_count, nao, nstates(2), gauge, orb_center, nbr_center(2) component
324 current_env%nbr_center(:) = HUGE(1)
458 … nbr_center, center_list, centers_set, psi1_p, psi1_rxp, psi1_D, p_psi0, & argument
471 INTEGER, OPTIONAL :: nbr_center(2) local
511 IF (PRESENT(nbr_center)) nbr_center(1:2) = current_env%nbr_center(1:2)
|
| H A D | qs_linres_op.F | 121 nbr_center(2), nmo, nsgf, nspins, & local
182 nbr_center=nbr_center, p_psi0=p_psi0, rxp_psi0=rxp_psi0, &
249 DO icenter = 1, nbr_center(ispin)
|
| H A D | qs_linres_current.F | 352 DO istate = 1, current_env%nbr_center(ispin)
2072 ELSE IF (current_env%nbr_center(1) > 1) THEN
2096 max_states, nao, natom, nbr_center(2), nmo, nspins, nstate_loc, nstates(2), output_unit local
2153 nbr_center=nbr_center, &
2165 DO icenter = 1, nbr_center(ispin)
2283 DO icenter = 1, nbr_center(ispin)
2523 nbr_center(2), nmo, nspins, nstates(2), output_unit local
2575 nbr_center=nbr_center, &
2655 CPASSERT(nbr_center(ispin) == 1)
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_current_utils.F | 211 nbr_center=nbr_center, &
387 max_nbr_center = MAXVAL(nbr_center(1:nspins))
461 DO jcenter = 1, nbr_center(ispin)
892 current_env%nbr_center(ispin) = nstate
905 current_env%nbr_center(ispin) = 1
959 current_env%nbr_center(ispin) = ii - 1
1020 current_env%nbr_center(ispin) = ii - 1
1047 DO icenter = 1, current_env%nbr_center(ispin)
1081 DO istate = 1, current_env%nbr_center(ispin)
1101 DO istate = 1, current_env%nbr_center(ispin)
[all …]
|
| H A D | qs_linres_types.F | 104 … :: ref_count, nao, nstates(2), gauge, orb_center, nbr_center(2) component
324 current_env%nbr_center(:) = HUGE(1)
458 … nbr_center, center_list, centers_set, psi1_p, psi1_rxp, psi1_D, p_psi0, & argument
471 INTEGER, OPTIONAL :: nbr_center(2) local
511 IF (PRESENT(nbr_center)) nbr_center(1:2) = current_env%nbr_center(1:2)
|
| H A D | qs_linres_op.F | 121 nbr_center(2), nmo, nsgf, nspins, & local
182 nbr_center=nbr_center, p_psi0=p_psi0, rxp_psi0=rxp_psi0, &
249 DO icenter = 1, nbr_center(ispin)
|
| H A D | qs_linres_current.F | 358 DO istate = 1, current_env%nbr_center(ispin)
2255 ELSE IF (current_env%nbr_center(1) > 1) THEN
2279 max_states, nao, natom, nbr_center(2), nmo, nspins, nstate_loc, nstates(2), output_unit local
2336 nbr_center=nbr_center, &
2348 DO icenter = 1, nbr_center(ispin)
2466 DO icenter = 1, nbr_center(ispin)
2706 nbr_center(2), nmo, nspins, nstates(2), output_unit local
2758 nbr_center=nbr_center, &
2838 CPASSERT(nbr_center(ispin) == 1)
|