def getEnergy(self, coords): E = ljf.ljenergy( coords, self.eps, self.sig, self.periodic, self.boxl) return E
def getEnergy(self, coords): natoms = len(coords) / 3 E = ljf.ljenergy( coords, self.eps, self.sig, self.periodic, self.boxl, [natoms]) return E
def getEnergy(self, coords): E = ljf.ljenergy(coords, self.eps, self.sig, self.periodic, self.boxl) return E