Searched refs:offset_dlb (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mixed_cdft_methods.F | 2325 numexp, offset_dlb, unit_nr local
2678 offset_dlb = 0
2681 offset_dlb = SUM(mixed_cdft%dlb_control%target_list(2, :))
2696 …ALLOCATE (mixed_cdft%cavity(bo(1, 1) + offset_dlb:bo(2, 1), bo(1, 2):bo(2, 2), bo_conf(1, 3):bo_co…
2697 … mixed_cdft%cavity = cdft_control%becke_control%cavity%pw%cr3d(bo(1, 1) + offset_dlb:bo(2, 1), &
2701 …ALLOCATE (mixed_cdft%cavity(bo(1, 1):bo(2, 1), bo(1, 2) + offset_dlb:bo(2, 2), bo_conf(1, 3):bo_co…
2703 … bo(1, 2) + offset_dlb:bo(2, 2), &
2715 …ALLOCATE (mixed_cdft%weight(bo(1, 1) + offset_dlb:bo(2, 1), bo(1, 2):bo(2, 2), bo_conf(1, 3):bo_co…
2718 …ALLOCATE (mixed_cdft%weight(bo(1, 1):bo(2, 1), bo(1, 2) + offset_dlb:bo(2, 2), bo_conf(1, 3):bo_co…
2731 ALLOCATE (cdft_control%group(1)%gradients(3*natom, bo(1, 1) + offset_dlb:bo(2, 1), &
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mixed_cdft_methods.F | 2324 numexp, offset_dlb, unit_nr local
2670 offset_dlb = 0
2673 offset_dlb = SUM(mixed_cdft%dlb_control%target_list(2, :))
2688 …ALLOCATE (mixed_cdft%cavity(bo(1, 1) + offset_dlb:bo(2, 1), bo(1, 2):bo(2, 2), bo_conf(1, 3):bo_co…
2689 … mixed_cdft%cavity = cdft_control%becke_control%cavity%pw%cr3d(bo(1, 1) + offset_dlb:bo(2, 1), &
2693 …ALLOCATE (mixed_cdft%cavity(bo(1, 1):bo(2, 1), bo(1, 2) + offset_dlb:bo(2, 2), bo_conf(1, 3):bo_co…
2695 … bo(1, 2) + offset_dlb:bo(2, 2), &
2707 …ALLOCATE (mixed_cdft%weight(bo(1, 1) + offset_dlb:bo(2, 1), bo(1, 2):bo(2, 2), bo_conf(1, 3):bo_co…
2710 …ALLOCATE (mixed_cdft%weight(bo(1, 1):bo(2, 1), bo(1, 2) + offset_dlb:bo(2, 2), bo_conf(1, 3):bo_co…
2723 ALLOCATE (cdft_control%group(1)%gradients(3*natom, bo(1, 1) + offset_dlb:bo(2, 1), &
[all …]
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