Searched defs:centers_spreads_pipek (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_loc_methods.F | 514 CHARACTER(len=*), PARAMETER :: routineN = 'centers_spreads_pipek', & argument
515 routineP = moduleN//':'//routineN
517 CHARACTER(len=default_path_length) :: file_tmp, iter
518 INTEGER :: iatom, istate, natom, nstate, unit_out_s
519 INTEGER, DIMENSION(:), POINTER :: atom_of_state
520 REAL(dp) :: r(3)
521 REAL(dp), ALLOCATABLE, DIMENSION(:) :: Qii, ziimax
522 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: diag
523 REAL(dp), DIMENSION(:, :), POINTER :: centers
524 TYPE(cp_logger_type), POINTER :: logger
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_loc_methods.F | 509 CHARACTER(len=*), PARAMETER :: routineN = 'centers_spreads_pipek', & argument
510 routineP = moduleN//':'//routineN
512 CHARACTER(len=default_path_length) :: file_tmp, iter
513 INTEGER :: iatom, istate, natom, nstate, unit_out_s
514 INTEGER, DIMENSION(:), POINTER :: atom_of_state
515 REAL(dp) :: r(3)
516 REAL(dp), ALLOCATABLE, DIMENSION(:) :: Qii, ziimax
517 REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: diag
518 REAL(dp), DIMENSION(:, :), POINTER :: centers
519 TYPE(cp_logger_type), POINTER :: logger
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