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CCL: an algorithm for the efficient comparison of clusters
Author(s) -
Hundt R.,
Schön J. C.,
Neelamraju S.,
Zagorac J.,
Jansen M.
Publication year - 2013
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889813006894
Subject(s) - cluster (spacecraft) , context (archaeology) , visualization , computer science , algorithm , nanomaterials , point (geometry) , task (project management) , computational science , data mining , materials science , nanotechnology , mathematics , engineering , geometry , systems engineering , paleontology , biology , programming language
The systematic comparison of the atomic structure of solids and clusters has become an important task in crystallography, chemistry, physics and materials science, in particular in the context of structure prediction and structure determination of nanomaterials. In this work, an efficient and robust algorithm for the comparison of cluster structures is presented, which is based on the mapping of the point patterns of the two clusters onto each other. This algorithm has been implemented as the module CCL in the structure visualization and analysis program KPLOT .