Merge pull request #62 from jboes/master

version bump

Merge pull request #58 from jboes/master

version bump 0.5.1

Version bump to 0.5.0 (#49)

* This test doesnt seem to fail consistently

* test corrections / indexing fix to account for self-bonding

* bug fixinging / further surface conventions added.

* version bump to 0.5.0

Merge pull request #27 from jboes/master

Adding PawPrint / a modular fingerprint generator for catalysis

Merge pull request #27 from jboes/master

Adding PawPrint / a modular fingerprint generator for catalysis

Revisions to readme (#20)

Merge pull request #12 from jboes/master

documentation changes

version 0.1.0 / first testing