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(
  for id, coors in calculator.gen_atomic_coors(): 
      #print id, coors
      if id%size == 0:
          folder = "EFT_%04d"%(id)
          os.mkdir(folder)
      mol = mol2mol_init(ele)
      for i in range(len(coors)):
          for j in range(3):
              mol[i][j+1]=coors[i][j]
      inf = open("%s/eft.%08d.inp"%(folder,id),"w")
      WriteINP(inf, mol)
      inf.close()
  
  
new_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")
  
  
subject: add a script to write gird out.