Searched refs:psi1_pso (Results 1 – 4 of 4) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_linres_issc_utils.F | 116 psi1_pso, pso_psi0 local
157 psi1_pso=psi1_pso, &
252 CALL cp_fm_set_all(psi1_pso(ispin, idir)%matrix, 0.0_dp)
279 CALL cp_fm_to_fm(psi1(ispin)%matrix, psi1_pso(ispin, idir)%matrix)
477 NULLIFY (cell, dft_control, particle_set, issc, psi1_fc, psi1_efg, psi1_pso)
497 psi1_pso=psi1_pso, &
1111 IF (ASSOCIATED(issc_env%psi1_pso)) THEN
1112 DO idir = 1, SIZE(issc_env%psi1_pso, 2)
1113 DO ispin = 1, SIZE(issc_env%psi1_pso, 1)
1114 CALL cp_fm_release(issc_env%psi1_pso(ispin, idir)%matrix)
[all …]
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| H A D | qs_linres_types.F | 140 …TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: psi1_efg, psi1_pso, efg_psi0, pso_psi0, dso_psi0, … component
388 NULLIFY (issc_env%psi1_pso)
606 …issc, interpolate_issc, psi1_efg, psi1_pso, psi1_dso, psi1_fc, efg_psi0, pso_psi0, dso_psi0, fc_ps… argument
619 POINTER :: psi1_efg, psi1_pso, psi1_dso local
640 IF (PRESENT(psi1_pso)) psi1_pso => issc_env%psi1_pso
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_linres_issc_utils.F | 116 psi1_pso, pso_psi0 local
157 psi1_pso=psi1_pso, &
252 CALL cp_fm_set_all(psi1_pso(ispin, idir)%matrix, 0.0_dp)
279 CALL cp_fm_to_fm(psi1(ispin)%matrix, psi1_pso(ispin, idir)%matrix)
477 NULLIFY (cell, dft_control, particle_set, issc, psi1_fc, psi1_efg, psi1_pso)
497 psi1_pso=psi1_pso, &
1111 IF (ASSOCIATED(issc_env%psi1_pso)) THEN
1112 DO idir = 1, SIZE(issc_env%psi1_pso, 2)
1113 DO ispin = 1, SIZE(issc_env%psi1_pso, 1)
1114 CALL cp_fm_release(issc_env%psi1_pso(ispin, idir)%matrix)
[all …]
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| H A D | qs_linres_types.F | 140 …TYPE(cp_fm_p_type), DIMENSION(:, :), POINTER :: psi1_efg, psi1_pso, efg_psi0, pso_psi0, dso_psi0, … component
388 NULLIFY (issc_env%psi1_pso)
606 …issc, interpolate_issc, psi1_efg, psi1_pso, psi1_dso, psi1_fc, efg_psi0, pso_psi0, dso_psi0, fc_ps… argument
619 POINTER :: psi1_efg, psi1_pso, psi1_dso local
640 IF (PRESENT(psi1_pso)) psi1_pso => issc_env%psi1_pso
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