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fix test
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jmmshn committed May 11, 2024
1 parent f4db0db commit cd8af1c
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,
frac_coords1=np.vstack([AA.flatten(), BB.flatten(), CC.flatten()]).T,
frac_coords2=pos_frac,
)
return dist_from_pos.reshape(AA.shape)

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