Global optimizers?

[matt]

What are your thoughts on including basic global optimizers in tsse to go along with the local ones?

[ryeterrell]

I would like that, myself.

[graeme]

Yes, it would be great to see basin hopping, simulated annealing, and perhaps even parallel tempering / replica exchange in tsse.

[matt]

About the architecture:

For simulated annealing and parallel tempering, it makes sense to have these classes possess a "move" object (i.e. Metropolis). I'm not sure whether this makes sense for Basin Hopping, however, because Basin Hopping is a surface transformation. Should the move object own a set of surface transformation objects, or should surface transformations occur outside of the move object (perhaps a sort of potential factory)?