def test_innerproduct():
    a = 2450.0
    b = np.array([430, 452, 474, 500, 526, 552, 570, 600, 630])
    c = np.array([[1,2,3], [4,5,6], [7,8,9], [10,11,12]])
    d = np.array([[13,14,15], [16,17,18], [19,20,21], [22,23,24]])
    e = np.zeros(9,dtype = np.float64)
    g = qcp.InnerProduct(e, c.astype(np.float64), d.astype(np.float64), 4, None)
    assert_almost_equal(a, g)
    assert_array_almost_equal(b, e)
Example #2
0
def test_innerproduct(atoms_a, atoms_b):
    a = 2450.0
    b = np.array([430, 452, 474, 500, 526, 552, 570, 600, 630])
    number_of_atoms = 4

    e = np.zeros(9, dtype=np.float64)
    g = qcp.InnerProduct(e, atoms_a, atoms_b, number_of_atoms, None)
    assert_almost_equal(a, g)
    assert_array_almost_equal(b, e)