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Searched refs:natoms_bulk (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dnegf_vectors.F50 INTEGER :: handle, iatom, natoms_bulk, & local
60 natoms_bulk = SIZE(atomlist_bulk)
64 CPASSERT(natoms_bulk > 0)
76 DO iatom = 2, natoms_bulk
79 direction_vector = direction_vector/REAL(natoms_bulk, kind=dp)
H A Dnegf_env_types.F1100 natoms_bulk, natoms_cell0 local
1108 natoms_bulk = SIZE(atomlist_bulk)
1109 CPASSERT(SIZE(atom_map, 1) == natoms_bulk)
1115 DO iatom = 1, natoms_bulk
1128 DO iatom = 1, natoms_bulk
1137 DO iatom = 1, natoms_bulk
1189 natoms_bulk = SIZE(atomlist_bulk)
1190 CPASSERT(SIZE(atom_map, 1) == natoms_bulk)
1197 DO iatom = 1, natoms_bulk
1210 DO iatom = 1, natoms_bulk
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dnegf_vectors.F50 INTEGER :: handle, iatom, natoms_bulk, & local
60 natoms_bulk = SIZE(atomlist_bulk)
64 CPASSERT(natoms_bulk > 0)
76 DO iatom = 2, natoms_bulk
79 direction_vector = direction_vector/REAL(natoms_bulk, kind=dp)
H A Dnegf_env_types.F1100 natoms_bulk, natoms_cell0 local
1108 natoms_bulk = SIZE(atomlist_bulk)
1109 CPASSERT(SIZE(atom_map, 1) == natoms_bulk)
1115 DO iatom = 1, natoms_bulk
1128 DO iatom = 1, natoms_bulk
1137 DO iatom = 1, natoms_bulk
1189 natoms_bulk = SIZE(atomlist_bulk)
1190 CPASSERT(SIZE(atom_map, 1) == natoms_bulk)
1197 DO iatom = 1, natoms_bulk
1210 DO iatom = 1, natoms_bulk
[all …]