cclib-v1.2
Major changes since cclib 1.1
- Move project to github
- Transition to Python 3 (Python 2.7 will still work)
- Add a multifile mode to ccget script
- Extract vibrational displacements for ORCA
- Extract natural atom charges for Gaussian (Fedor Zhuravlev)
- Updated test files to ADF2013.01, GAMESS-US 2012, Gaussian09, Molpro 2012 and ORCA 3.0.1
- Many bugfixes, thanks to Scott McKechnie, Tamilmani S, Melchor Sanchez, Clyde Fare, Julien Idé and Andrew Warden