cclib/cclib — pull request #78 by langner (2014-03-23 23:22:26+00:00)
Title: GeoOpt test: do not test for MO energies and coefficients

I don't think we should test for the MO details here, because for many programs we override the tests anyway (NWChem was failing, also). All these tests are in the SP unit test already, and there is some benefit in trying to keep the unit tests orthogonal to some degree, I think,