Révision d8110aeb modules/refinement.py

b/modules/refinement.py
65 65
                               inp_vars['special_atoms'])
66 66
    selected_confs = select_confs(conf_list, finished_calcs,
67 67
                                  inp_vars['energy_cutoff'], inp_vars['code'])
68
    logger.info(f"Selected {len(selected_confs)} structures to carry out the"
69
                f"refinement")
68 70
    run_calc('refinement', inp_vars, selected_confs)
69 71
    logger.info('Finished the procedures for the refinement of '
70 72
                'adsorbate-surface structures section.')

Formats disponibles : Unified diff