GreenGroup/RMG-Py — pull request #287 by enochd (2014-09-16 21:59:03+00:00)
Title: make cantherm alert user if reacting species is not lowest E conformer

For large molecules, it's not always easy to know that the species you
use during a reaction is at it's lowest energy conformation. However,
the scan calculations that are used for inclusion of hindered rotors can
be used to alert a user if this is potentially the case, since most/all
users utilize the geometry from one of their reacting species to
initiate a scan calculation. This will help prevent incorrect calculations in the future for gaussian and qchem users.