Searched defs:get_fitting_points (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_resp.F | 1052 CHARACTER(len=*), PARAMETER :: routineN = 'get_fitting_points', & argument
1053 routineP = moduleN//':'//routineN
1055 INTEGER :: bo(2, 3), gbo(2, 3), handle, i, iatom, &
1056 ikind, in_x, in_y, in_z, jx, jy, jz, &
1057 k, kind_number, l, m, natom, nkind, &
1058 now, p local
1059 LOGICAL, ALLOCATABLE, DIMENSION(:, :) :: not_in_range
1060 REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, &
1061 vec_pbc(3)
1062 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: dist
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_resp.F | 1052 CHARACTER(len=*), PARAMETER :: routineN = 'get_fitting_points', & argument
1053 routineP = moduleN//':'//routineN
1055 INTEGER :: bo(2, 3), gbo(2, 3), handle, i, iatom, &
1056 ikind, in_x, in_y, in_z, jx, jy, jz, &
1057 k, kind_number, l, m, natom, nkind, &
1058 now, p local
1059 LOGICAL, ALLOCATABLE, DIMENSION(:, :) :: not_in_range
1060 REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, &
1061 vec_pbc(3)
1062 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: dist
[all …]
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