diff --git a/chgnet/model/model.py b/chgnet/model/model.py index f1efad7f..03d0b1db 100644 --- a/chgnet/model/model.py +++ b/chgnet/model/model.py @@ -807,7 +807,9 @@ def from_graphs( else: strain = None lattice = graph.lattice - volumes.append(torch.dot(lattice[0], torch.cross(lattice[1], lattice[2]))) + volumes.append( + torch.dot(lattice[0], torch.linalg.cross(lattice[1], lattice[2])) + ) strains.append(strain) # Bonds