pele.takestep.GroupSteps

class pele.takestep.GroupSteps(steptakers)

group several takestep objects

This class is a wrapper for takestep objects to group several takestep objects into one and perform all takesteps simultaneously.

Parameters:

steptakerslist of takestep objects

list of takestep objects to combine to a single one

Methods

__call__(*args, **kwargs)	Call self as a function.
scale(factor)	scale the stepsize
takeStep(coords, **kwargs)	take a step
updateStep(accepted, **kwargs)	feedback from basin hopping if last step was accepted

Attributes