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Searched defs:create_force_env (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Df77_interface.F562 CHARACTER(len=*), PARAMETER :: routineN = 'create_force_env', & argument
565 CHARACTER(len=default_path_length) :: old_dir, wdir
566 INTEGER :: handle, i, ierr2, iforce_eval, isubforce_eval, k, method_name_id, my_group, &
567 nforce_eval, ngroups, nsubforce_size, unit_nr
570 LOGICAL :: check, do_qmmm_force_mixing, multiple_subsys, my_echo, my_owns_out_unit, &
571 use_motion_section, use_multiple_para_env
572 TYPE(cp_logger_type), POINTER :: logger, my_logger
573 TYPE(cp_para_env_type), POINTER :: my_para_env, para_env
590 TYPE(section_vals_type), POINTER :: fe_section, force_env_section, force_env_sections, &
591 fp_section, input_file, qmmm_section, qmmmx_section, root_section, subsys_section, &
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Df77_interface.F564 CHARACTER(len=*), PARAMETER :: routineN = 'create_force_env', & argument
567 CHARACTER(len=default_path_length) :: old_dir, wdir
568 INTEGER :: handle, i, ierr2, iforce_eval, isubforce_eval, k, method_name_id, my_group, &
569 nforce_eval, ngroups, nsubforce_size, unit_nr
572 LOGICAL :: check, do_qmmm_force_mixing, multiple_subsys, my_echo, my_owns_out_unit, &
573 use_motion_section, use_multiple_para_env
574 TYPE(cp_logger_type), POINTER :: logger, my_logger
575 TYPE(cp_para_env_type), POINTER :: my_para_env, para_env
592 TYPE(section_vals_type), POINTER :: fe_section, force_env_section, force_env_sections, &
593 fp_section, input_file, qmmm_section, qmmmx_section, root_section, subsys_section, &
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/start/python/
H A Dcp2k.pyx73 def create_force_env(input_file_path, output_file_path, mpi_comm = None): function
/dports/science/cp2k-data/cp2k-7.1.0/src/start/python/
H A Dcp2k.pyx73 def create_force_env(input_file_path, output_file_path, mpi_comm = None): function