Searched defs:qmmmx_update_force_env (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qmmmx_update.F | 47 SUBROUTINE qmmmx_update_force_env(force_env, root_section) subroutine
51 CHARACTER(len=*), PARAMETER :: routineN = 'qmmmx_update_force_env', & argument
52 routineP = moduleN//':'//routineN
54 LOGICAL :: force_mixing_active, labels_changed
55 TYPE(atomic_kind_list_type), POINTER :: atomic_kinds, new_atomic_kinds
56 TYPE(cp_subsys_type), POINTER :: subsys, subsys_new
57 TYPE(distribution_1d_type), POINTER :: local_particles, new_local_particles
58 TYPE(qmmmx_env_type), POINTER :: new_qmmmx_env
59 TYPE(section_vals_type), POINTER :: qmmm_core_section, &
61 qmmm_force_mixing, qmmm_section, &
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qmmmx_update.F | 47 SUBROUTINE qmmmx_update_force_env(force_env, root_section) subroutine
51 CHARACTER(len=*), PARAMETER :: routineN = 'qmmmx_update_force_env', & argument
52 routineP = moduleN//':'//routineN
54 LOGICAL :: force_mixing_active, labels_changed
55 TYPE(atomic_kind_list_type), POINTER :: atomic_kinds, new_atomic_kinds
56 TYPE(cp_subsys_type), POINTER :: subsys, subsys_new
57 TYPE(distribution_1d_type), POINTER :: local_particles, new_local_particles
58 TYPE(qmmmx_env_type), POINTER :: new_qmmmx_env
59 TYPE(section_vals_type), POINTER :: qmmm_core_section, &
61 qmmm_force_mixing, qmmm_section, &
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