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@langner langner released this Apr 30, 2014

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
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