from e3nn import o3 from mace.tools import cg def test_U_matrix(): irreps_in = o3.Irreps("1x0e + 1x1o + 1x2e") irreps_out = o3.Irreps("1x0e + 1x1o") u_matrix = cg.U_matrix_real( irreps_in=irreps_in, irreps_out=irreps_out, correlation=3 )[-1] assert u_matrix.shape == (3, 9, 9, 9, 21)