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Fix https://github.com/MaterSim/PyXtal/issues/330#331

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Merged
qzhu2017 merged 1 commit into from
Mar 6, 2026
Merged

Fix https://github.com/MaterSim/PyXtal/issues/330 #331

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6 changes: 2 additions & 4 deletions pyxtal/symmetry.py
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Original file line numberDiff line numberDiff line change
Expand Up@@ -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):
"""
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