Merge pull request #135 from berquist/qchem

Q-Chem: fix for parsing geometries in fragment jobs
Regressions: Add commented placeholders for missing unconverged geopt jobs (#103)
Regressions: add unconverged GeoOpt test for Firefly (see #103)
Merge pull request #137 from langner/tests

More updates to tests
Fix typo in comment