diff --git a/changes.md b/changes.md index a6a49862..bc0290ea 100644 --- a/changes.md +++ b/changes.md @@ -10,7 +10,7 @@ nav_order: 3 - Improve the memory efficiency and speed of three-body interactions. (@kenko911) - FrechetCellFilter is added for variable cell relaxation in Relaxer class. (@kenko911) - Smooth l1 loss function is added for training. (@kenko911) - + ## 1.1.2 - Move AtomRef Fitting to numpy to avoid bug (@BowenD-UCB) - NVE ensemble added (@kenko911) diff --git a/src/matgl/utils/so3.py b/src/matgl/utils/so3.py index 7618feef..6a74d360 100644 --- a/src/matgl/utils/so3.py +++ b/src/matgl/utils/so3.py @@ -72,7 +72,7 @@ def generate_clebsch_gordan(lmax: int) -> torch.Tensor: m2 - m1, -m1 - m2, }: - coeff = clebsch_gordan(l1, l2, l3, m1, m2, m3) + coeff = clebsch_gordan(l1.item(), l2.item(), l3.item(), m1.item(), m2.item(), m3.item()) cg[c1, c2, c3] = float(coeff) return cg