Searched refs:atomlist_cell0 (Results 1 – 2 of 2) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | negf_env_types.F | 99 INTEGER, ALLOCATABLE, DIMENSION(:) :: atomlist_cell0 component 357 CALL list_atoms_in_bulk_primary_unit_cell(atomlist_cell0=contact_env%atomlist_cell0, & 427 natoms = SIZE(contact_env%atomlist_cell0) 494 atom_list=contact_env%atomlist_cell0, & 634 contact_env%atomlist_cell0(:) = contact_control%atomlist_cell(1)%vector(:) 639 contact_env%atomlist_cell0(:) = contact_control%atomlist_cell(2)%vector(:) 693 atomlist_row=contact_env%atomlist_cell0, & 1086 INTEGER, ALLOCATABLE, DIMENSION(:), INTENT(inout) :: atomlist_cell0 local 1133 ALLOCATE (atomlist_cell0(natoms_cell0)) 1140 atomlist_cell0(natoms_cell0) = atomlist_bulk(iatom) [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | negf_env_types.F | 99 INTEGER, ALLOCATABLE, DIMENSION(:) :: atomlist_cell0 component 357 CALL list_atoms_in_bulk_primary_unit_cell(atomlist_cell0=contact_env%atomlist_cell0, & 427 natoms = SIZE(contact_env%atomlist_cell0) 494 atom_list=contact_env%atomlist_cell0, & 634 contact_env%atomlist_cell0(:) = contact_control%atomlist_cell(1)%vector(:) 639 contact_env%atomlist_cell0(:) = contact_control%atomlist_cell(2)%vector(:) 693 atomlist_row=contact_env%atomlist_cell0, & 1086 INTEGER, ALLOCATABLE, DIMENSION(:), INTENT(inout) :: atomlist_cell0 local 1133 ALLOCATE (atomlist_cell0(natoms_cell0)) 1140 atomlist_cell0(natoms_cell0) = atomlist_bulk(iatom) [all …]
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