Searched defs:build_overlap_matrix_simple (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_overlap.F | 480 CHARACTER(len=*), PARAMETER :: routineN = 'build_overlap_matrix_simple', & argument
483 INTEGER :: atom_a, atom_b, handle, iatom, icol, ikind, irow, iset, jatom, jkind, jset, &
484 ldsab, m1, m2, mepos, n1, n2, natom, ncoa, ncob, nkind, nseta, nsetb, nthread, sgfa, sgfb
486 INTEGER, DIMENSION(:), POINTER :: la_max, la_min, lb_max, lb_min, npgfa, &
487 npgfb, nsgfa, nsgfb
488 INTEGER, DIMENSION(:, :), POINTER :: first_sgfa, first_sgfb
489 LOGICAL :: do_symmetric, found, trans
490 REAL(KIND=dp) :: dab, rab2
494 REAL(KIND=dp), DIMENSION(:), POINTER :: set_radius_a, set_radius_b
495 REAL(KIND=dp), DIMENSION(:, :), POINTER :: rpgfa, rpgfb, scon_a, scon_b, zeta, zetb
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_overlap.F | 566 CHARACTER(len=*), PARAMETER :: routineN = 'build_overlap_matrix_simple', & argument
569 … INTEGER :: handle, iatom, icol, ikind, irow, iset, &
570 jatom, jkind, jset, ldsab, m1, m2, n1, &
571 n2, natom, ncoa, ncob, nkind, nseta, &
572 nsetb, sgfa, sgfb, slot
573 INTEGER, DIMENSION(:), POINTER :: la_max, la_min, lb_max, lb_min, npgfa, &
574 npgfb, nsgfa, nsgfb
575 INTEGER, DIMENSION(:, :), POINTER :: first_sgfa, first_sgfb
576 LOGICAL :: do_symmetric, found, trans
577 REAL(KIND=dp) :: dab, rab2
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