A class to run the basin hopping algorithm
All required and optional parameters from base class MonteCarlo :
quench : callable, optional
insert_rejected : bool
Basin-hopping is a stochastic algorithm which attempts to find the global minimum of a smooth scalar function of one or more variables
The algorithm is iterative with each cycle composed of the following features
The acceptance test used here is the Metropolis criterion of standard Monte Carlo algorithms, although there are many other possibilities _.
This global minimization method has been shown to be extremely efficient for a wide variety of problems in physics and chemistry. It is particularly useful when the function has many minima separated by large barriers. See the Cambridge Cluster Database http://www-wales.ch.cam.ac.uk/CCD.html for databases of molecular systems that have been optimized primarily using basin-hopping. This database includes minimization problems exceeding 300 degrees of freedom.
|addEventAfterStep(event)||add an even to the list event_after_step|
|run(nsteps)||do multiple iterations|
|setPrinting([ostream, frq])||change how the printing is done|
|takeOneStep()||one cycle of the routine|