Psi: customize GeoOpt/testoptdone unittest
Psi: prevent parsing atomcoords doubly for geoopt
Psi: append to scfenergies instead of overwriting
Jaguar: customize CIS unittests, because Jaguar8.3 job was run using 6-31G instead of STO-3G
Jaguar: tune l_max for TDDFT unittest
Jaguar: tune expected maximum oscillator strength for TDDFT unittest
Jaguar: customize basis set unit test (contration coefficients seem to be non-standard)
GAMESS-UK: fix parsing of stars in molecular geometry (gets rid of some warnings)
Unittests: store unit tests in list of dicts instead of dict of dicts, and do not sort
Unittests: up program versions in visualtests, and a bit of cleanup
Merge pull request #141 from langner/tests

Improvements to tests