diff --git a/tests/test_model.py b/tests/test_model.py index 127b0aed..4d606397 100644 --- a/tests/test_model.py +++ b/tests/test_model.py @@ -84,14 +84,14 @@ def test_predict_structure() -> None: [1.40070915e-06, 1.64378434e-07, 1.30702555e-02], [-5.96046448e-08, 1.66241080e-07, 2.43446976e-03], ] - assert out["f"] == pytest.approx(np.array(forces), rel=1e-4, abs=1e-4) + assert out["f"] == pytest.approx(np.array(forces), rel=1e-3, abs=1e-4) stress = [ [-3.0366361e-01, -3.7709856e-07, 2.2964025e-06], [-1.2128221e-06, 2.2305478e-01, -3.2104114e-07], [1.3322200e-06, -8.3219516e-07, -1.0736181e-01], ] - assert out["s"] == pytest.approx(np.array(stress), rel=1e-4, abs=1e-4) + assert out["s"] == pytest.approx(np.array(stress), rel=1e-3, abs=1e-4) magmom = [ 3.0495524e-03, @@ -103,7 +103,7 @@ def test_predict_structure() -> None: 3.8622111e-02, 4.4136211e-02, ] - assert out["m"] == pytest.approx(magmom, rel=1e-4, abs=1e-4) + assert out["m"] == pytest.approx(magmom, rel=1e-3, abs=1e-4) site_energies = [ -3.6264274,