cclib/cclib — pull request #144 by berquist (2014-10-24 17:36:53+00:00)
Title: Q-Chem: determine behavior for fragment jobs

Based on the current parser, there isn't much indication about what will happen if a fragment job is parsed. I classify a fragment job as any sort of compound job that isn't a geometry optimization. This should begin to remedy this problem, until a better solution is found.

In doing so, I also discovered that several things I was parsing (moenergies, mosyms) were the wrong shape. This should also be fixed now.