cclib/cclib — pull request #127 by berquist (2014-09-04 16:07:04+00:00)
Title: Q-Chem: Fix for all OpenMP jobs

The assertion in the parser always failed, since running with OpenMP threading adds a header between the convergence threshold and the start of the SCF iterations; this header happens to have a bunch of dashes in it.

There is also the start of rewriting the MPn/CC parsing sections, which will need to be done with explicit string slicing.

The multipole section is causing problems. 10th-order moments are not parsed properly under Python 2 due to the expanded labels, and there's a parsing error under Python 3 due to the current sorting method.