Révision 9fd1daa6 modules/dos_input.py

b/modules/dos_input.py
581 581 
        # Facultative options (Default/Fallback value present)
582 582 
        return_vars['cluster_magns'] = get_cluster_magns()
583 583 
        return_vars['num_conformers'] = get_num_conformers()
584 
        return_vars['num_prom_cand'] = get_num_prom_cand()
585 
        return_vars['iso_rmsd'] = get_iso_rmsd()
584 
        # return_vars['num_prom_cand'] = get_num_prom_cand()
585 
        # return_vars['iso_rmsd'] = get_iso_rmsd()
586 586 
        return_vars['min_confs'] = get_min_confs()
587 587 

  		





  588
  588
  
    
    # Screening


  		





  ......




  605
  605
  
    
        return_vars['try_disso'] = get_try_disso()


  		





  606
  606
  
    
        return_vars['sample_points_per_angle'] = get_pts_per_angle()


  		





  607
  607
  
    
        return_vars['collision_threshold'] = get_coll_thrsld()


  		





  608
  
  
    
        return_vars['screen_rmsd'] = get_screen_rmsd()


  		





  
  608
  
    
        # return_vars['screen_rmsd'] = get_screen_rmsd()


  		





  609
  609
  
    
        return_vars['collision_bottom_z'] = get_coll_bottom_z()


  		





  610
  610
  
    

  		





  611
  611
  
    
    # Refinement


  		












Formats disponibles :
  Unified diff