def __init__(self): AppClusterBH.__init__(self) self.quenchParameters={} quenchParameters=self.quenchParameters quenchParameters["tol"]=1e-4 quenchParameters["nsteps"]=5000 quenchParameters["maxErise"]=2e-2 quenchParameters["maxstep"]=0.1 quenchParameters["M"]=100 self.quenchRoutine=quenchCrystal
def create_basinhopping(self, **kwargs): GMIN.initialize() opt = AppClusterBH.create_basinhopping(self, **kwargs) #self.database.compareMinima = compareMinima opt.insert_rejected = True addColdFusionCheck(opt) return opt