Falls, Zackary; Lonie, David C.; Avery, Patrick; Shamp, Andrew; Zurek, Eva XtalOpt version r9: an open-source evolutionary algorithm for crystal structure prediction. (English) Zbl 1344.82005 Comput. Phys. Commun. 199, 178-179 (2016). Summary: A new version of XtalOpt, an evolutionary algorithm for crystal structure prediction, is available for download from the CPC library or the XtalOpt website, http://xtalopt.github.io. XtalOpt is published under the Gnu Public License (GPL), which is an open source license that is recognized by the Open Source Initiative. The new version incorporates many bug-fixes and new features, as detailed below. MSC: 82-04 Software, source code, etc. for problems pertaining to statistical mechanics 82-08 Computational methods (statistical mechanics) (MSC2010) 68T05 Learning and adaptive systems in artificial intelligence 82D25 Statistical mechanics of crystals Keywords:structure prediction; evolutionary algorithm; genetic algorithm; crystal structures Software:GULP; GitHub; VASP; Open Babel; MOPAC; Quantum Espresso; XtalOpt; Spglib; SIESTA; Avogadro PDFBibTeX XMLCite \textit{Z. Falls} et al., Comput. Phys. Commun. 199, 178--179 (2016; Zbl 1344.82005) Full Text: DOI