Use torch.det to calculate volumes (#130)

`torch.cross` without `dim` is deprecated.
CederGroupHub · Feb 27, 2024 · 5a25b2c · 5a25b2c
1 parent c8c1351
commit 5a25b2c
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/chgnet/model/model.py b/chgnet/model/model.py
@@ -807,7 +807,7 @@ def from_graphs(
             else:
                 strain = None
                 lattice = graph.lattice
-            volumes.append(torch.dot(lattice[0], torch.cross(lattice[1], lattice[2])))
+            volumes.append(torch.det(lattice))
             strains.append(strain)
 
             # Bonds