Searched defs:read_force_field_gromos (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | force_fields_ext.F | 66 SUBROUTINE read_force_field_gromos(ff_type, para_env, mm_section) subroutine
72 CHARACTER(len=*), PARAMETER :: routineN = 'read_force_field_gromos', & argument
73 routineP = moduleN//':'//routineN
76 CHARACTER(LEN=default_string_length) :: label
80 INTEGER :: handle, iatom, icon, itemp, itype, iw, &
81 jatom, ncon, ntype, offset
82 LOGICAL :: found
83 REAL(KIND=dp) :: cosphi0, cost2, csq, sdet
84 TYPE(cp_logger_type), POINTER :: logger
85 TYPE(cp_parser_type), POINTER :: parser
[all …]
|
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | force_fields_ext.F | 66 SUBROUTINE read_force_field_gromos(ff_type, para_env, mm_section) subroutine
72 CHARACTER(len=*), PARAMETER :: routineN = 'read_force_field_gromos', & argument
73 routineP = moduleN//':'//routineN
76 CHARACTER(LEN=default_string_length) :: label
80 INTEGER :: handle, iatom, icon, itemp, itype, iw, &
81 jatom, ncon, ntype, offset
82 LOGICAL :: found
83 REAL(KIND=dp) :: cosphi0, cost2, csq, sdet
84 TYPE(cp_logger_type), POINTER :: logger
85 TYPE(cp_parser_type), POINTER :: parser
[all …]
|