Updating re: metatensor

cersonsky-lab · Mar 5, 2024 · 19e1c52 · 19e1c52
1 parent d8fd9d8
commit 19e1c52
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diff --git a/anisoap/representations/Untitled.ipynb b/anisoap/representations/Untitled.ipynb
diff --git a/anisoap/representations/ellipsoidal_density_projection.py b/anisoap/representations/ellipsoidal_density_projection.py
@@ -365,7 +365,9 @@ def contract_pairwise_feat(pair_ellip_feat, types, show_progress=False):
             values=all_block_values.reshape(
                 all_block_values.shape[0], all_block_values.shape[1], -1
             ),
-            samples=Labels(["type", "center"], np.asarray(all_block_samples, np.int32)),
+            samples=Labels(
+                ["type", "center"], np.asarray(all_block_samples, np.int32)
+            ),
             components=block.components,
             properties=Labels(
                 list(property_names),