def update(self): self.T = sampler.getTemperature(self.region.atoms) self.updateLocal() # print len(self.region.atoms), sampler.getNumberOfFrees(self.region.atoms) for atom in self.region.atoms: if atom.sticky: continue self.apply(atom)
def getTemperature(self): self.T = sampler.getTemperature(self.atoms, N=self.nFree, Ek=self.EkPrev) return self.T