| 21 | 
  | 
  double sigma, s, eps; | 
| 22 | 
  | 
  double rTerm, r6, r12; | 
| 23 | 
  | 
  double energy; | 
| 24 | 
+ | 
  double range; | 
| 25 | 
  | 
 | 
| 26 | 
  | 
  char* shapeFileName; | 
| 27 | 
  | 
  char* outputFileName; | 
| 61 | 
  | 
     | 
| 62 | 
  | 
  // grid has a default value (default=51), so it is always given | 
| 63 | 
  | 
  npts = args_info.grid_arg; | 
| 64 | 
+ | 
  range = args_info.range_arg; | 
| 65 | 
  | 
 | 
| 66 | 
< | 
  xmin = -10.0; | 
| 67 | 
< | 
  xmax = 10.0; | 
| 66 | 
> | 
  xmin = -range; | 
| 67 | 
> | 
  xmax = range; | 
| 68 | 
  | 
 | 
| 69 | 
< | 
  ymin = -10.0; | 
| 70 | 
< | 
  ymax = 10.0; | 
| 69 | 
> | 
  ymin = -range; | 
| 70 | 
> | 
  ymax = range; | 
| 71 | 
  | 
 | 
| 72 | 
< | 
  zmin = -10.0; | 
| 73 | 
< | 
  zmax = 10.0; | 
| 72 | 
> | 
  zmin = -range; | 
| 73 | 
> | 
  zmax = range; | 
| 74 | 
  | 
 | 
| 75 | 
  | 
  //sigmaProbe = 2.28; | 
| 76 | 
  | 
  //sProbe = 2.28; |