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Searched defs:mp2_eri_3c_integrate (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dmp2_eri.F642 CHARACTER(LEN=*), PARAMETER :: routineN = 'mp2_eri_3c_integrate', & argument
645 INTEGER :: atom_a, atom_b, atom_c, atom_end, atom_start, first_set, GG_count, GR_count, &
646 … handle, i_xyz, iatom, ic, icol, ikind, inode, irow, iset, jatom, jkind, jset, katom, &
647 … kkind, kset, kset_end, kset_start, last_jatom, last_set, mepos, my_eri_method, na, natom, &
648 … nb, nc, nkind, nseta, nsetb, nsetc, nthread, offset_a_end, offset_a_start, offset_b_end, &
649 offset_b_start, offset_c_end, offset_c_start, RR_count, set_end, set_offset_end, &
650 set_offset_start, set_start, sgfa, sgfb, sgfc
653 … INTEGER, DIMENSION(:), POINTER :: la_max, la_min, lb_max, lb_min, lc_max, &
654 lc_min, npgfa, npgfb, npgfc, nsgfa, &
662 REAL(KIND=dp), DIMENSION(3) :: ra, rab, rb, rc
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dmp2_eri.F643 CHARACTER(LEN=*), PARAMETER :: routineN = 'mp2_eri_3c_integrate', & argument
646 INTEGER :: atom_a, atom_b, atom_c, atom_end, atom_start, first_set, GG_count, GR_count, &
647 handle, i_xyz, iatom, ic, icol, ikind, inode, irow, iset, jatom, jkind, jset, katom, &
648 kkind, kset, kset_end, kset_start, last_jatom, last_set, mepos, my_eri_method, na, natom, &
649 nb, nc, nkind, nseta, nsetb, nsetc, nthread, offset_a_end, offset_a_start, offset_b_end, &
650 offset_b_start, offset_c_end, offset_c_start, RR_count, set_end, set_offset_end, &
651 set_offset_start, set_start, sgfa, sgfb, sgfc
654 … INTEGER, DIMENSION(:), POINTER :: la_max, la_min, lb_max, lb_min, lc_max, &
655 lc_min, npgfa, npgfb, npgfc, nsgfa, &
663 REAL(KIND=dp), DIMENSION(3) :: ra, rab, rb, rc
[all …]