pele.takestep.Takestep¶

class pele.takestep.Takestep(stepsize=1.0)[source]¶

basic takestep interface which stores the stepsize

Methods

`__call__`(args, *kwargs)
`scale`(factor)
`takeStep`(coords, **kwargs)	take a step
`updateStep`(accepted, **kwargs)	feedback from basin hopping if last step was accepted