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XtalOpt version r9: an open-source evolutionary algorithm for crystal structure prediction. (English) Zbl 1344.82005
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 mechanical studies of crystals
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