formatting

lab-cosmo · Nov 26, 2024 · 7d1c88d · 7d1c88d
1 parent c8803aa
commit 7d1c88d
Show file tree

Hide file tree

Showing 2 changed files with 4 additions and 1 deletion.
diff --git a/src/shiftml/ase/calculator.py b/src/shiftml/ase/calculator.py
@@ -17,7 +17,9 @@
 }
 
 resolve_outputs = {
-    "ShiftML1.1rev": {"mtt::cs_iso": ModelOutput(quantity="", unit="ppm", per_atom=True)},
+    "ShiftML1.1rev": {
+        "mtt::cs_iso": ModelOutput(quantity="", unit="ppm", per_atom=True)
+    },
     "ShiftML2.0rev": {
         "mtt::cs_iso": ModelOutput(quantity="", unit="ppm", per_atom=True),
         "mtt::cs_iso_std": ModelOutput(quantity="", unit="ppm", per_atom=True),

diff --git a/tests/test_regression_pretrained.py b/tests/test_regression_pretrained.py
@@ -7,6 +7,7 @@
     "ShiftML1.1rev": np.array([137.5415, 137.5415]),
 }
 
+
 def test_shiftml1_1_regression():
     """Regression test for the ShiftML1.1 model."""
-Original file line number
+Diff line change
@@ Expand Up / @@ -7,6 +7,7 @@ @@
         "ShiftML1.1rev": np.array([137.5415, 137.5415]),
     }
     def test_shiftml1_1_regression():
         """Regression test for the ShiftML1.1 model."""
@@ Expand Down @@