From 724b5adf095fe8f87c997214f23ff8a4d3f6b885 Mon Sep 17 00:00:00 2001 From: Nikita Kazeev Date: Fri, 6 Mar 2026 01:31:27 +0800 Subject: [PATCH] Fix https://github.com/MaterSim/PyXtal/issues/330 --- pyxtal/symmetry.py | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/pyxtal/symmetry.py b/pyxtal/symmetry.py index ef9211ca..503fcd0a 100644 --- a/pyxtal/symmetry.py +++ b/pyxtal/symmetry.py @@ -1232,10 +1232,8 @@ def get_spg_symmetry_object(self): elif bravis == "F": ops = ops[: int(len(ops) / 4)] - return site_symmetry(ops, l_type, bravis, self.number, True) - # ss.to_beautiful_matrix_representation() - else: - raise ValueError("Only supports space group symmetry") + return site_symmetry(ops, l_type, bravis, self.number, wp_id=0, parse_trans=True) + raise ValueError("Only supports space group symmetry") def get_wyckoff_position(self, index): """