Searched defs:write_structure_data (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | particle_methods.F | 746 CHARACTER(LEN=*), PARAMETER :: routineN = 'write_structure_data', & argument
747 routineP = moduleN//':'//routineN
749 CHARACTER(LEN=default_string_length) :: string, unit_str
750 … INTEGER :: handle, i, i_rep, iw, n, n_rep, n_vals, &
751 natom, new_size, old_size, wrk2(2), &
752 wrk3(3), wrk4(4)
753 INTEGER, ALLOCATABLE, DIMENSION(:) :: work
754 INTEGER, DIMENSION(:), POINTER :: atomic_indices, index_list
755 LOGICAL :: unique
756 REAL(KIND=dp) :: conv, dab
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | particle_methods.F | 747 CHARACTER(LEN=*), PARAMETER :: routineN = 'write_structure_data', & argument
748 routineP = moduleN//':'//routineN
750 CHARACTER(LEN=default_string_length) :: string, unit_str
751 … INTEGER :: handle, i, i_rep, iw, n, n_rep, n_vals, &
752 natom, new_size, old_size, wrk2(2), &
753 wrk3(3), wrk4(4)
754 INTEGER, ALLOCATABLE, DIMENSION(:) :: work
755 INTEGER, DIMENSION(:), POINTER :: atomic_indices, index_list
756 LOGICAL :: unique
757 REAL(KIND=dp) :: conv, dab
[all …]
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