pele.takestep.UniformDisplacement

class pele.takestep.UniformDisplacement(srange=None, stepsize=1.0)[source]

Displace each atom be a uniform random vector

The routine generates a proper uniform random unitvector to displace atoms.

Methods

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

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pele.takestep.UniformDisplacement.__call__