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  • Alexander Tygesen's avatar
    Use a MC evaluator class to allow user customization when evaluating energies · 3af1297b
    Alexander Tygesen authored
    The MC class can now take an (optional) evaluate class, in order to allow higher degrees
    of customization when running MC simulations, as discussed in issue #268.
    
    Allow either Atoms object or an MC Evaluator object to be passed into the montecarlo constructor.
    Use a baseclass for MC and KMC, since they both have the same handling of evaluator and atoms object.
    
    Update docs to new evaluator API, verify as doctest
    3af1297b