XtalOpt Version r10: An open–source evolutionary algorithm for crystal structure prediction

Published: 1 May 2017| Version 1 | DOI: 10.17632/jt5pvnnm39.1
Contributors:
Patrick Avery, Zachary Falls, Eva Zurek

Description

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.

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Natural Sciences

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