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patonlab / GoodVibes

Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
http://www.patonlab.colostate.edu
MIT License
132 stars 52 forks source link

A slightly change that solved some issue #9

Closed NKUCodingCat closed 6 years ago

NKUCodingCat commented 6 years ago

I just make following changes:

  1. Solve Py3 compatibility (Caused by the conflict of Byte and String)
  2. Let users can easily install module and run module as script (just like what pip do)
  3. Some Pythonic changes that makes module more robust

That's all I had done :-P

bobbypaton commented 6 years ago

Thanks @NKUCodingCat - contributions much appreciated.