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pyiron · Jul 17, 2024 · 15c5e53 · 15c5e53
1 parent 892f374
commit 15c5e53
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/structuretoolkit/analyse/phonopy.py b/structuretoolkit/analyse/phonopy.py
@@ -41,5 +41,7 @@ def get_equivalent_atoms(
     positions = np.reshape(np.array(positions), (natom, 3))
     cell = np.reshape(np.array(cell), (3, 3))
     unitcell = PhonopyAtoms(symbols=types, cell=cell, scaled_positions=positions)
-    ops = spg.get_symmetry(cell=unitcell.totuple(), symprec=symprec, angle_tolerance=angle_tolerance)
+    ops = spg.get_symmetry(
+        cell=unitcell.totuple(), symprec=symprec, angle_tolerance=angle_tolerance
+    )
     return ops["equivalent_atoms"]