Searched refs:atomlist_cell1 (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | negf_env_types.F | 101 INTEGER, ALLOCATABLE, DIMENSION(:) :: atomlist_cell1 component
367 CALL list_atoms_in_bulk_secondary_unit_cell(atomlist_cell1=contact_env%atomlist_cell1, &
439 CPASSERT(SIZE(contact_env%atomlist_cell1) == natoms)
636 contact_env%atomlist_cell1(:) = contact_control%atomlist_cell(2)%vector(:)
641 contact_env%atomlist_cell1(:) = contact_control%atomlist_cell(1)%vector(:)
673 atomlist_col=contact_env%atomlist_cell1, &
700 atomlist_col=contact_env%atomlist_cell1, &
1167 INTEGER, ALLOCATABLE, DIMENSION(:), INTENT(inout) :: atomlist_cell1 local
1215 ALLOCATE (atomlist_cell1(natoms_cell1))
1222 atomlist_cell1(natoms_cell1) = atomlist_bulk(iatom)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | negf_env_types.F | 101 INTEGER, ALLOCATABLE, DIMENSION(:) :: atomlist_cell1 component
367 CALL list_atoms_in_bulk_secondary_unit_cell(atomlist_cell1=contact_env%atomlist_cell1, &
439 CPASSERT(SIZE(contact_env%atomlist_cell1) == natoms)
636 contact_env%atomlist_cell1(:) = contact_control%atomlist_cell(2)%vector(:)
641 contact_env%atomlist_cell1(:) = contact_control%atomlist_cell(1)%vector(:)
673 atomlist_col=contact_env%atomlist_cell1, &
700 atomlist_col=contact_env%atomlist_cell1, &
1167 INTEGER, ALLOCATABLE, DIMENSION(:), INTENT(inout) :: atomlist_cell1 local
1215 ALLOCATE (atomlist_cell1(natoms_cell1))
1222 atomlist_cell1(natoms_cell1) = atomlist_bulk(iatom)
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