Searched defs:qmmm_debug_forces (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmm_gpw_forces.F | 1380 CHARACTER(len=*), PARAMETER :: routineN = 'qmmm_debug_forces', & argument
1381 routineP = moduleN//':'//routineN
1383 INTEGER :: handle, I, IndMM, iw, J, K local
1385 REAL(KIND=dp), DIMENSION(2) :: energy
1386 REAL(KIND=dp), DIMENSION(3) :: Err
1388 TYPE(cp_logger_type), POINTER :: logger
1389 TYPE(cp_para_env_type), POINTER :: para_env
1390 TYPE(pw_env_type), POINTER :: pw_env
1392 TYPE(pw_pool_p_type), DIMENSION(:), POINTER :: pw_pools
1394 TYPE(section_vals_type), POINTER :: input_section, print_section
[all …]
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmm_gpw_forces.F | 1381 CHARACTER(len=*), PARAMETER :: routineN = 'qmmm_debug_forces', & argument
1382 routineP = moduleN//':'//routineN
1384 INTEGER :: handle, I, IndMM, iw, J, K local
1386 REAL(KIND=dp), DIMENSION(2) :: energy
1387 REAL(KIND=dp), DIMENSION(3) :: Err
1389 TYPE(cp_logger_type), POINTER :: logger
1390 TYPE(cp_para_env_type), POINTER :: para_env
1391 TYPE(pw_env_type), POINTER :: pw_env
1393 TYPE(pw_pool_p_type), DIMENSION(:), POINTER :: pw_pools
1395 TYPE(section_vals_type), POINTER :: input_section, print_section
[all …]
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