Skip to content

Commit

Permalink
var name
Browse files Browse the repository at this point in the history
  • Loading branch information
jmmshn committed Jul 19, 2024
1 parent f199f62 commit a6dd8c3
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions pymatgen/analysis/defects/utils.py
Original file line number Diff line number Diff line change
Expand Up @@ -423,8 +423,8 @@ def _dist_mat(pos_frac: npt.ArrayLike) -> npt.NDArray:
cc = np.linspace(0, 1, len(chgcar.get_axis_grid(2)), endpoint=False)
AA, BB, CC = np.meshgrid(aa, bb, cc, indexing="ij")
dist_from_pos = chgcar.structure.lattice.get_all_distances(
fcoords1=np.vstack([AA.flatten(), BB.flatten(), CC.flatten()]).T,
fcoords2=pos_frac,
np.vstack([AA.flatten(), BB.flatten(), CC.flatten()]).T,
pos_frac,
)
return dist_from_pos.reshape(AA.shape)

Expand Down

0 comments on commit a6dd8c3

Please sign in to comment.