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CrystalCMP

CrystalCMP

Description


CrystalCMP is a simple code, which computes fingerprints (1D or 2D plots) that can be used for the similarity classification of crystal structures. The fingerprint can be pair-distribution function and pair-distribution function combined with angles. The code compares these fingerprints among each other and it computes the similarity matrix. As the final step the cluster analysis is used for showing the similar results.
The source code and the last version is available on the sourceforge web - https://sourceforge.net/projects/crystalcmp

Updated: 2.11.2015 13:09, Author: Michal Šimek

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Copyright: UCT Prague 2015
Information provided by the Department of International Relations and the Department of R&D. Technical support by the Computing Centre.
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