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Find our software projects on GitHub
winak: Global optimization and materials structure search
Reinhard J. Maurer and Konstantin Krautgasser, 2016
Curvilinear delocalized coordinates and analysis tools are used to sample geometries of clusters, organic molecules, and condensed matter systems.
[image-with-text alt="dftb+" position="top-left" src="dftb.png"][/image-with-text]