cclib/cclib — pull request #153 by langner (2014-11-18 13:58:38+00:00)
Title: Test MOs in geoopt

So I removed this test from GeoOpt a while ago, which was stupid. Note to self: never remove tests! Of course, upon adding it back now it did not pass for all parsers.

Here is the test, more limited than before, and a fix for NWChem.