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change back the M3GNet RMSE value to the old value
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QuantumChemist committed Oct 25, 2024
1 parent 17f780b commit 9a0ecbb
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion tests/auto/test_auto_flows.py
Original file line number Diff line number Diff line change
Expand Up @@ -526,7 +526,7 @@ def test_complete_dft_vs_ml_benchmark_workflow_m3gnet(
assert complete_workflow_m3gnet.jobs[4].name == "complete_benchmark_mp-22905"
assert responses[complete_workflow_m3gnet.jobs[-1].output.uuid][1].output[0][0][
"benchmark_phonon_rmse"] == pytest.approx(
0.8721660534880088, abs=1.0 # bad fit data
5.2622804443539355, abs=1.0 # bad fit data
)


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