From cfe69d4156a65f4c89289897ff69f79395474ef7 Mon Sep 17 00:00:00 2001 From: Jianli Cheng Date: Mon, 18 Sep 2023 16:13:10 -0700 Subject: [PATCH] change variable name --- aimsgb/grain.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/aimsgb/grain.py b/aimsgb/grain.py index 0b7b03c..30c6b72 100644 --- a/aimsgb/grain.py +++ b/aimsgb/grain.py @@ -72,9 +72,9 @@ def get_orthogonal_matrix(self): min_length=min(self.lattice.abc)) _s = self.copy() _s = cst.apply_transformation(_s) - _csl = [reduce_vector(i) for i in cst.transformation_matrix] + matrix = [reduce_vector(i) for i in cst.transformation_matrix] _s = self.copy() - _s.make_supercell(_csl) + _s.make_supercell(matrix) sm = StructureMatcher(attempt_supercell=True, primitive_cell=False) matrix = sm.get_supercell_matrix(_s, self) return np.array([reduce_vector(i) for i in matrix])