This class requires a bash script called ./runQChem to load the appropriate Q-Chem module and run it.
This class cannot be used within Eclipse (or on our network in general) because it does not have access to Q-Chem.
Currently, it writes an input file appropriate for particular description of argon.
Some writing to the Q-Chem input file will always be required because the positions of the molecules must be updated.
Informs the potential of the box on which it acts. Typically this
requires at least that it update the nearestImageTransformer of its
coordinatePair (if it uses one), e.g.: