Searched refs:step_obj (Results 1 – 2 of 2) sorted by relevance
465 TYPE (step_type) :: step_obj local477 step_obj%tagname="step"478 step_obj%n_step = i_step 482 step_obj%scf_conv = scf_conv_obj 492 step_obj%total_energy=tot_en_obj496 step_obj%forces=mat_forces500 step_obj%stress = mat_stress503 step_obj%FCP_force = fcp_force504 step_obj%FCP_force_ispresent = .TRUE.512 steps(step_counter) = step_obj[all …]
1494 struct hikari_configuration *configuration, const ucl_object_t *step_obj) in parse_step() argument1498 if (!ucl_object_toint_safe(step_obj, &step)) { in parse_step()