Note

This website is presently under development. The primary website for MOPAC is still http://openmopac.net until the majority of its contents have been migrated here.

DFP

If BFGS is used, then by default, the Broyden [19]-Fletcher [20]-Goldfarb [21]-Shanno [22] method will be used to optimize geometries. The older Davidon-Fletcher-Powell method can be invoked by also specifying DFP. This is intended to be used for comparison of the two methods.