コード例 #1
0
    public void Test_kinetic_energy_element()
    {
        matrix A       = new matrix("2.0,0.3;0.3,4.8");
        matrix B       = new matrix("6.7,4.2;4.2,0.8");
        double overlap = 1.6328955457275554;
        double trace   = 0.046013347383209613;
        double ans     = Math.Round(3.0 / 2.0 * trace * overlap, 14);
        double result  = Math.Round(mef.kineticEnergyElement(A, B), 14);

        Assert.AreEqual(ans, result);;
    }