From 15c5e536bdbed437ac735716289f023b15b721df Mon Sep 17 00:00:00 2001 From: pyiron-runner Date: Wed, 17 Jul 2024 18:52:35 +0000 Subject: [PATCH] Format black --- structuretoolkit/analyse/phonopy.py | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/structuretoolkit/analyse/phonopy.py b/structuretoolkit/analyse/phonopy.py index 260cc0912..9bcccabcd 100644 --- 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"]