Searched refs:mos_filtered (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_fb_env_methods.F | 177 NULLIFY (mos, mos_filtered)
317 ALLOCATE (mos_filtered(nspin))
323 NULLIFY (mos_filtered(ispin)%mo_set)
324 CALL allocate_mo_set(mo_set=mos_filtered(ispin)%mo_set, &
334 mos=mos_filtered, &
423 CALL init_mo_set(mos_filtered(ispin)%mo_set, &
430 mos_filtered(ispin)%mo_set, &
452 CALL set_mo_occupation(mo_array=mos_filtered, &
535 CALL get_mo_set(mo_set=mos_filtered(ispin)%mo_set, &
584 CALL deallocate_mo_set(mo_set=mos_filtered(ispin)%mo_set)
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_fb_env_methods.F | 177 NULLIFY (mos, mos_filtered)
317 ALLOCATE (mos_filtered(nspin))
323 NULLIFY (mos_filtered(ispin)%mo_set)
324 CALL allocate_mo_set(mo_set=mos_filtered(ispin)%mo_set, &
334 mos=mos_filtered, &
423 CALL init_mo_set(mos_filtered(ispin)%mo_set, &
430 mos_filtered(ispin)%mo_set, &
452 CALL set_mo_occupation(mo_array=mos_filtered, &
535 CALL get_mo_set(mo_set=mos_filtered(ispin)%mo_set, &
584 CALL deallocate_mo_set(mo_set=mos_filtered(ispin)%mo_set)
[all …]
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