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    • Sunhwan Jo's avatar
      add comment/modify test · 0db10f6c
      Sunhwan Jo authored
      - Test system is translated to the origin
      - Energy is computed again after updating Gromacs input to reflect no-cutoff option (rcoulomb = rlist = rvdw = 0.0)
      0db10f6c
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    • Levi Naden's avatar
      Fix Bond pickling in Python 2.7 · f8624c4e
      Levi Naden authored
      The pickle round trip for the Bond object does not preserve the `type` and `order` parameters in Python 2.7.
      
      Near as I can tell, its because the parent `namedtuple` already has a __getstate__ method, so the default
      of returning the `__dict__` is never given, so `__setstate__` is not called (as default). This leads to pickle
       restoring the state, but never invoking the `__new__` statement, resulting in `type` and `order` being
       lost.
      
       This PR fixes this problem in python 2.7, without breaking python 3.x versions.
      
       Related mdtraj/mdtraj#1308
      f8624c4e
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