Searched defs:create_force_env (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | f77_interface.F | 562 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 …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | f77_interface.F | 564 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 …]
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/start/python/ |
H A D | cp2k.pyx | 73 def create_force_env(input_file_path, output_file_path, mpi_comm = None): function
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/dports/science/cp2k-data/cp2k-7.1.0/src/start/python/ |
H A D | cp2k.pyx | 73 def create_force_env(input_file_path, output_file_path, mpi_comm = None): function
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