Searched defs:build_pair_list_mp2 (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hfx_pair_list_methods.F | 638 INTEGER, INTENT(IN) :: natom
639 TYPE(pair_list_type_mp2) :: list
641 INTENT(OUT) :: set_list
642 INTEGER, INTENT(IN) :: i_start, i_end, j_start, j_end
643 INTEGER :: kind_of(*)
650 REAL(KIND=dp), INTENT(IN) :: coeffs_kind_max0, log10_eps_schwarz
651 TYPE(cell_type), POINTER :: cell
656 … INTEGER :: iatom, ikind, iset, jatom, jkind, jset, &
657 n_element, nset_ij, nseta, nsetb
659 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 | 638 INTEGER, INTENT(IN) :: natom
639 TYPE(pair_list_type_mp2) :: list
641 INTENT(OUT) :: set_list
642 INTEGER, INTENT(IN) :: i_start, i_end, j_start, j_end
643 INTEGER :: kind_of(*)
650 REAL(KIND=dp), INTENT(IN) :: coeffs_kind_max0, log10_eps_schwarz
651 TYPE(cell_type), POINTER :: cell
656 … INTEGER :: iatom, ikind, iset, jatom, jkind, jset, &
657 n_element, nset_ij, nseta, nsetb
659 REAL(KIND=dp) :: rab2
[all …]
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