Peridoc boudary condition in PDFCaluculator of Diffpy-cmi
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toruwada
May 23, 2022, 1:02:17 AM5/23/22
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Hello all,
This may be an elementary question, but is it possible to remove the periodic boundary condition for cif files when calculating PDF with PDFCaluculator?
If I convert the cif file to an xyz file, and then load it, the periodic boundary condition is automatically turned off, but it's a bit trouble.
If I convert the cif file to an xyz file, and then load it, the periodic boundary condition is automatically turned off, but it's a bit trouble.
Thank you,
Toru
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