Searched defs:build_atomic_pair_list (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hfx_pair_list_methods.F | 555 INTEGER, INTENT(IN) :: natom
557 INTEGER :: kind_of(*)
560 LOGICAL, INTENT(IN) :: do_periodic
562 REAL(KIND=dp), INTENT(IN) :: coeffs_kind_max0, log10_eps_schwarz
563 TYPE(cell_type), POINTER :: cell
564 TYPE(hfx_block_range_type), DIMENSION(:), POINTER :: blocks
566 INTEGER :: iatom, iatom_end, iatom_start, iblock, &
567 ikind, jatom, jatom_end, jatom_start, &
568 jblock, jkind, nseta, nsetb
569 REAL(KIND=dp) :: rab2
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hfx_pair_list_methods.F | 555 INTEGER, INTENT(IN) :: natom
557 INTEGER :: kind_of(*)
560 LOGICAL, INTENT(IN) :: do_periodic
562 REAL(KIND=dp), INTENT(IN) :: coeffs_kind_max0, log10_eps_schwarz
563 TYPE(cell_type), POINTER :: cell
564 TYPE(hfx_block_range_type), DIMENSION(:), POINTER :: blocks
566 INTEGER :: iatom, iatom_end, iatom_start, iblock, &
567 ikind, jatom, jatom_end, jatom_start, &
568 jblock, jkind, nseta, nsetb
569 REAL(KIND=dp) :: rab2
[all …]
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