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Update describer.py
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Signed-off-by: Zishen Wang <[email protected]>
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zz11ss11zz authored Sep 22, 2024
1 parent 2914c88 commit 546bf2d
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/maml/apps/gbe/describer.py
Original file line number Diff line number Diff line change
Expand Up @@ -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)
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