Fix test

metatensor · Dec 17, 2024 · 205fa40 · 205fa40
1 parent 39a7a61
commit 205fa40
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/tests/utils/test_llpr.py b/tests/utils/test_llpr.py
@@ -102,7 +102,7 @@ def test_llpr(tmpdir):
             params.append(param.squeeze())
     weights = torch.cat(params)
 
-    n_ensemble_members = 10000
+    n_ensemble_members = 1000000  # converges slowly...
     llpr_model.calibrate(dataloader)
     llpr_model.generate_ensemble({"energy": weights}, n_ensemble_members)
     assert "energy_ensemble" in llpr_model.capabilities.outputs
@@ -143,7 +143,7 @@ def test_llpr(tmpdir):
     )
 
     torch.testing.assert_close(
-        analytical_uncertainty, ensemble_uncertainty, rtol=1e-2, atol=1e-2
+        analytical_uncertainty, ensemble_uncertainty, rtol=5e-3, atol=0.0
     )