Searched defs:qmmm_el_coupling (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_gpw_energy.F | 101 CHARACTER(len=*), PARAMETER :: routineN = 'qmmm_el_coupling', & argument
102 routineP = moduleN//':'//routineN
104 INTEGER :: handle, iw, iw2
105 LOGICAL :: mpi_io
106 TYPE(cp_logger_type), POINTER :: logger
107 TYPE(cp_para_env_type), POINTER :: para_env
109 TYPE(particle_list_type), POINTER :: particles
110 TYPE(pw_env_type), POINTER :: pw_env
111 TYPE(pw_pool_p_type), DIMENSION(:), POINTER :: pw_pools
113 TYPE(qs_subsys_type), POINTER :: subsys
[all …]
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_gpw_energy.F | 101 CHARACTER(len=*), PARAMETER :: routineN = 'qmmm_el_coupling', & argument
102 routineP = moduleN//':'//routineN
104 INTEGER :: handle, iw, iw2
105 LOGICAL :: mpi_io
106 TYPE(cp_logger_type), POINTER :: logger
107 TYPE(cp_para_env_type), POINTER :: para_env
109 TYPE(particle_list_type), POINTER :: particles
110 TYPE(pw_env_type), POINTER :: pw_env
111 TYPE(pw_pool_p_type), DIMENSION(:), POINTER :: pw_pools
113 TYPE(qs_subsys_type), POINTER :: subsys
[all …]
|