old_contents: #!/usr/bin/env python
  import os,sys
  from eft_calculator import EFT_calculator
  
  calculator = EFT_calculator()
  calculator.setup()
  # Please change the following code to whatever needed to generate the input 
  # coordinates files
  # Please make sure to carry the id number along with the results
  calculator.grid.save("grid.dat")
  
  
new_contents: #!/usr/bin/env python
  import os,sys
  from eft_calculator import EFT_calculator
  
  calculator = EFT_calculator()
  calculator.setup()
  calculator.grid.save("grid.dat")
  
  
subject: change name for clearer