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prevent pymatgen from messing with CIFs
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sezelt committed Dec 8, 2023
1 parent 8408ea3 commit d73e52f
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion py4DSTEM/process/diffraction/crystal.py
Original file line number Diff line number Diff line change
Expand Up @@ -273,7 +273,7 @@ def from_CIF(CIF, conventional_standard_structure=True):

parser = CifParser(CIF)

structure = parser.get_structures()[0]
structure = parser.get_structures(False)[0]

return Crystal.from_pymatgen_structure(
structure, conventional_standard_structure=conventional_standard_structure
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