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
[utils] Add a few more digits to A->bohr conversion
Merge pull request #141 from langner/tests

Improvements to tests
[utils] Tidy up a bit
Methods: clean up Method class a bit and add basic doctest
Methods: no need to relative imports (I think), and they broke docttest
cclib2pyquante: enclose import with try..except
Methods: add a Nuclear method, with repulsion energy calculation (and test)
Methods: little fix for Python3, and back to relative imports (my bad)
Merge pull request #142 from langner/nuclear_repulsion_energy

Nuclear repulsion energy