This is an example program to make batch comparisons of HORTON output for atomic
HF computations with Gaussian output. It works as follows:

1) Run the script mkinputs.py. This will create a bunch of input files for
   Gaussian.

2) Run the jobs with Gaussian 03 or 09. Create a formatted checkpoint file
   ``gaussian.fchk`` for every successful job.

3) Run the script ``compare.py``. It will load the ``.fchk`` files and recompute
   the energy (before and after SCF) and compares these with the Gaussian result

The comparison must not always be successful because the SCF algorithm,
depending on the variant used, may fail to converge properly for some odd cases.
Nevertheless, in many cases the difference in energy should be of the order
1e-9 Hartree or less.
