From 546bf2da21cdc982abff28532daa64f6d616550b Mon Sep 17 00:00:00 2001 From: Zishen Wang <64644075+zz11ss11zz@users.noreply.github.com> Date: Sat, 21 Sep 2024 22:14:22 -0700 Subject: [PATCH] Update describer.py Signed-off-by: Zishen Wang <64644075+zz11ss11zz@users.noreply.github.com> --- src/maml/apps/gbe/describer.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/maml/apps/gbe/describer.py b/src/maml/apps/gbe/describer.py index 8847a79b..2d57558d 100644 --- a/src/maml/apps/gbe/describer.py +++ b/src/maml/apps/gbe/describer.py @@ -206,7 +206,7 @@ def get_structural_feature(db_entry: dict, features: list | None = None) -> pd.D if gb_plane.shape[0] == 4: gb_plane = convert_hcp_plane(list(gb_plane)) rotation_axis = convert_hcp_direction(rotation_axis, lat_type=sg.get_crystal_system()) - d_gb = bulk_conv.lattice.d_hkl(gb_plane) + d_gb = bulk_conv.lattice.d_hkl(gb_plane) # type: ignore d_rot = bulk_conv.lattice.d_hkl(rotation_axis) theta = db_entry["rotation_angle"] sin_theta = np.sin(theta * np.pi / 180)