message: removed helper print function
diff: @@ -31,19 +31,6 @@ from ase.build import molecule
  from ase.visualize import view
  from ase.build import bulk
  -def _print_diff(num, ana):
  - print("numerical")
  - print(num)
  - print("numerical derivatives shape")
  - print(num.shape)
  - print("analytical")
  - print(ana)
  - print("analytical der shape", ana.shape)
  - print("num - ana")
  - print(num - ana)
  - return
  -
  -
  H2 = Atoms(
  cell=[
  [15.0, 0.0, 0.0],
  