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Code for the study of mathematical crystallography (deprecated)

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Crystallography

Code for the study of mathematical crystallography. Developed at UNLV department of Physics.
Note: This code has been transitioned into a new repository: https://github.com/qzhu2017/PyXtal

Current project: pseudosymmetry search (main.py)

A program for calculating pseudymmetry groups for a given crystal structure.
Wyckoff_Split(): returns the splitting and mapping of Wyckoff positions from a supergroup into a subgroup for a given Wyckoff letter.

Current goals:
*calculation of minimal supergroups for a given subgroup *transforming general positions from one group setting to another via (W,w) transformation

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Code for the study of mathematical crystallography (deprecated)

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