bump up rtol for bootstrap tests

OpenFreeEnergy · Jan 31, 2025 · d6bb946 · d6bb946
1 parent 21111dd
commit d6bb946
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/openfe/tests/protocols/test_openmmutils.py b/openfe/tests/protocols/test_openmmutils.py
@@ -275,7 +275,7 @@ def test_free_energies(self, analyzer):
             ret_dict['forward_and_reverse_energies']['forward_dDGs'].m,
             np.array([0.077645, 0.054695, 0.044680, 0.03947, 0.034822,
                       0.033443, 0.030793, 0.028777, 0.026683, 0.026199]),
-            rtol=1e-01,
+            rtol=5e-01,
         )
         assert_allclose(
             ret_dict['forward_and_reverse_energies']['reverse_DGs'].m,
@@ -288,7 +288,7 @@ def test_free_energies(self, analyzer):
             ret_dict['forward_and_reverse_energies']['reverse_dDGs'].m,
             np.array([0.088335, 0.059483, 0.046254, 0.041504, 0.03877,
                       0.035495, 0.031981, 0.029707, 0.027095, 0.026296]),
-            rtol=1e-01,
+            rtol=5e-01,
         )
 
     def test_plots(self, analyzer, tmpdir):