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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_loc_methods.F607 CHARACTER(len=*), PARAMETER :: routineN = 'qs_loc_driver', routineP = moduleN//':'//routineN argument
609 CHARACTER(LEN=default_string_length) :: my_pos
610 INTEGER :: dim_op, handle, i, imo, imoloc, ir, &
611 ispin, istate, j, jstate, l_spin, lb, &
612 loc_method, n_rep, nao, ncubes, nmo, &
613 nmosub, s_spin, ub
614 INTEGER, DIMENSION(:), POINTER :: bounds, list, list_cubes
615 LOGICAL :: append_cube, list_cubes_setup
618 REAL(KIND=dp), DIMENSION(:, :), POINTER :: centers, vecbuffer
619 TYPE(cell_type), POINTER :: cell
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_loc_methods.F602 CHARACTER(len=*), PARAMETER :: routineN = 'qs_loc_driver', routineP = moduleN//':'//routineN argument
604 CHARACTER(LEN=default_string_length) :: my_pos
605 INTEGER :: dim_op, handle, i, imo, imoloc, ir, &
606 ispin, istate, j, jstate, l_spin, lb, &
607 loc_method, n_rep, nao, ncubes, nmo, &
608 nmosub, s_spin, ub
609 INTEGER, DIMENSION(:), POINTER :: bounds, list, list_cubes
610 LOGICAL :: append_cube, list_cubes_setup
613 REAL(KIND=dp), DIMENSION(:, :), POINTER :: centers, vecbuffer
614 TYPE(cell_type), POINTER :: cell
[all …]