pele.takestep.adaptive#
- class pele.takestep.adaptive.AdaptiveStepsize[source]
-
class AdaptiveStepsize(TakestepInterface):Adaptive stepsize adjustment
AdaptiveStepsize is a wrapper for a takestep object and automatically adjusts the stepsize by calling takestep.scale() to obtain a certain acceptance ration during basing hopping runs.
- Parameters:
- stepclasstakestep object
the takestep object which performs the takestep
- acc_ratiofloat
target acceptance ratio
- factorfloat
factor to adjust the stepsize if acc_ratio is too high.
- intervalinteger
adjust the stepsize every interval steps
- note: the keyword frequency is the same as interval. it exists only for backward compatability
- AdaptiveStepsize.updateStep()[source]
-
def updateStep(self, accepted, **kwargs):tell us whether a step was accepted or rejected