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A python script to calculate bond distances from any number of crystal structure refinements. This code is intended to be used for time-resolved XRD powder diffraction and Rietveld refinements.

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aaroncelestian/Sequence-Bond-Distance-Calculation

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Sequence-Bond-Distance-Calculation

A very specific python script to calculate bond distances from any number of crystal structure refinements. This code is intended to be used for time-resolved XRD powder diffraction and Rietveld refinements.

Intended for use with the CSV data output from GSAS-II.

I'm working to make this code a bit more general, so that a user can select the data file, and then select which atoms they want bond distances for. Currently, this is all hard-wired in the code.

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A python script to calculate bond distances from any number of crystal structure refinements. This code is intended to be used for time-resolved XRD powder diffraction and Rietveld refinements.

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