Merge pull request #53 from TuckermanGroup/H2

Add H2-H2 molecular potential by Diep and Johnson
Minor fixes of screen output
Minor: align output
Create README.md
Update README.md
Add a readme to the example.
Merge branch 'master' of github.com:TuckermanGroup/PINY
Minor.
Only report CG reset in a CG run
Expose more stuff in the Python interface
Add an ASE calculator and an example of use
Allow a mapping from atom types to elements
Update example
Also set the cell
Update ghost atom positions
Minor
Correct order of ghost atom updates
Make more robust - check for supported changes
Remove debug code
Merge pull request #65 from TuckermanGroup/ase

Add an interface to ASE