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dprada committed Mar 4, 2025
1 parent eca671b commit a740bcd
Showing 1 changed file with 3 additions and 3 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -30,8 +30,8 @@ def test_align_principal_axes_molsysmt_MolSys_1():
[-2.87221485e-16, 1.00000000e+00, -3.60822483e-15],
[-8.58936055e-17, 3.60822483e-15, 1.00000000e+00]]])

assert np.allclose(momenta_1, momenta_2)
assert np.allclose(axes_1, good_axes_1)
assert np.allclose(axes_2, good_axes_2)
assert np.allclose(momenta_1, momenta_2), f"{momenta_1} {momenta_2}"
assert np.allclose(axes_1, good_axes_1), f"{axes_1} {good_axes_1}"
assert np.allclose(axes_2, good_axes_2), f"{axes_2} {good_axes_2}"


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