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XtalOpt version r11: An open–source evolutionary algorithm for crystal structure prediction

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Mendeley Data2017-11-06 更新2026-04-09 收录
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Version 11 of XtalOpt, an evolutionary algorithm for crystal structure prediction, has now been made available for download from the CPC library or the XtalOpt website, http://xtalopt.github.io. Whereas the previous versions of XtalOpt were published under the Gnu Public License (GPL), the current version is made available under the 3-Clause BSD License, which is an open source license that is recognized by the Open Source Initiative. Importantly, the new version can be executed via a command line interface (i.e., it does not require the use of a Graphical User Interface). Moreover, the new version is written as a stand-alone program, rather than an extension to Avogadro.

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2017-11-06
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