pele.takestep.TakestepInterface

class pele.takestep.TakestepInterface[source]

Interface for step taking classes

Methods

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

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pele.takestep.TakestepInterface.__call__