pele.takestep.Takestep

class pele.takestep.Takestep(stepsize=1.0)

basic takestep interface which stores the stepsize

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