Add additional metadata to default CIF comment string #3995
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Should a bug be found in either pymatgen's CIFWriter or spglib, a key package depended upon by pymatgen, this updated comment string will make it easier to find affected CIF files. Signed-off-by: Matthew Horton <[email protected]>
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[PR in draft, needs tests.]
Should a bug be found in either pymatgen's CIFWriter or spglib, a key package depended upon by pymatgen, this updated comment string will make it easier to find affected CIF files.