Searched defs:mp2_eri_3c_integrate (Results 1 – 2 of 2) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mp2_eri.F | 642 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 …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mp2_eri.F | 643 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 …]
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