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fixed tests (#765)
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jmmshn authored Mar 6, 2024
1 parent 27bde10 commit 10fa443
Showing 1 changed file with 4 additions and 2 deletions.
6 changes: 4 additions & 2 deletions tests/forcefields/test_utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -111,9 +111,11 @@ def test_relaxer(si_structure, test_dir, tmp_dir, optimizer, traj_file):

assert relax_output["trajectory"].energies[-1] == pytest.approx(expected_energy)

assert_allclose(relax_output["trajectory"].forces[-1], expected_forces)
assert_allclose(relax_output["trajectory"].forces[-1], expected_forces, atol=1e-8)

assert_allclose(relax_output["trajectory"].stresses[-1], expected_stresses)
assert_allclose(
relax_output["trajectory"].stresses[-1], expected_stresses, atol=1e-8
)

if traj_file:
assert os.path.isfile(traj_file)

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