pre-commit auto-fixes

Quantum-Accelerators · Jan 10, 2025 · cc231e2 · cc231e2
1 parent 580224a
commit cc231e2
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Showing 2 changed files with 6 additions and 4 deletions.
diff --git a/src/quacc/recipes/newtonnet/ts.py b/src/quacc/recipes/newtonnet/ts.py
@@ -360,9 +360,9 @@ def neb_job(
 
     for image in images:
         image.calc = NewtonNet(**calc_flags)
-    if 'max_steps' in neb_flags:
-        max_steps = neb_flags['max_steps']
-        del neb_flags['max_steps']
+    if "max_steps" in neb_flags:
+        max_steps = neb_flags["max_steps"]
+        del neb_flags["max_steps"]
         dyn = run_neb(images, max_steps=max_steps, neb_kwargs=neb_flags)
     else:
         dyn = run_neb(images, neb_kwargs=neb_flags)

diff --git a/tests/core/recipes/newtonnet_recipes/test_newtonnet_recipes.py b/tests/core/recipes/newtonnet_recipes/test_newtonnet_recipes.py
@@ -331,7 +331,9 @@ def setup_test_environment():
 def test_neb_job_linear(setup_test_environment):
     reactant, product = setup_test_environment
 
-    neb_summary = neb_job(reactant, product, interpolation_method="linear", neb_kwargs={'max_steps': 10})
+    neb_summary = neb_job(
+        reactant, product, interpolation_method="linear", neb_kwargs={"max_steps": 10}
+    )
 
     assert len(neb_summary["neb_results"]["trajectory_results"]) == 20
     assert neb_summary["relax_reactant"]["atoms"].positions[0, 0] == pytest.approx(