Ejemplo n.º 1
0
    def testForce(self):
        lj = LennardJones(epsilon=2.0, sigma=2.0)

        # force in the minimum
        self.assertAlmostEqual(
            (lj.computeForce(2.0 * 2.0**(1.0 / 6.0), 0.0, 0.0) -
             Real3D(0.0, 0.0, 0.0)).sqr(), 0)