Searched defs:write_topology_psf (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | topology_psf.F | 726 CHARACTER(len=*), PARAMETER :: routineN = 'write_topology_psf', & argument
727 routineP = moduleN//':'//routineN
729 CHARACTER(LEN=2*default_string_length) :: psf_format
730 CHARACTER(LEN=default_string_length) :: c_int, my_tag1, my_tag2, my_tag3, record
733 INTEGER :: handle, i, iw, j, my_index, nchg
734 LOGICAL :: explicit, ldum
735 REAL(KIND=dp), DIMENSION(:), POINTER :: charge_inp, charges
736 TYPE(atom_info_type), POINTER :: atom_info
737 TYPE(connectivity_info_type), POINTER :: conn_info
738 TYPE(cp_logger_type), POINTER :: logger
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | topology_psf.F | 726 CHARACTER(len=*), PARAMETER :: routineN = 'write_topology_psf', & argument
727 routineP = moduleN//':'//routineN
729 CHARACTER(LEN=2*default_string_length) :: psf_format
730 CHARACTER(LEN=default_string_length) :: c_int, my_tag1, my_tag2, my_tag3, record
733 INTEGER :: handle, i, iw, j, my_index, nchg
734 LOGICAL :: explicit, ldum
735 REAL(KIND=dp), DIMENSION(:), POINTER :: charge_inp, charges
736 TYPE(atom_info_type), POINTER :: atom_info
737 TYPE(connectivity_info_type), POINTER :: conn_info
738 TYPE(cp_logger_type), POINTER :: logger
[all …]
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