tests to be added

[vtlim]

Ongoing list of tests to be added:

• diff mols having the same name (what happens if all mols have the same name? #22)
• executor.py
• what happens if Psi4 job has multiple calculations in single output file
• (later) test for getTurbResults fail on datetime checking but passes locally. updated pckgs but no cigar.

There are also some placeholder functions in existing test scripts that must be filled in.

• (later) meta-testing detail, remove temp headers to address ModuleImportError with Travis-CI once starting to use with setup.py (getPsiResults, getTurbResults)

[vtlim]

maybe move helper script as done here referencing here

[vtlim]

test for omega failing with smiles: CCCF(F)F alkyl_70