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Project Summary

XtalOpt is a free and truly open source evolutionary algorithm designed to predict crystal structures. It is implemented as an extension to the Avogadro molecular editor.

XtalOpt runs on a workstation and communicates with a PBS server via ssh to perform calculations using GULP, VASP, pwSCF (Quantum ESPRESSO), or CASTEP. There is no special set up needed server-side, just install XtalOpt on the workstation and it's ready to go!

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In a Nutshell, XtalOpt...

GNU General Public License v2.0 or later
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These details are provided for information only. No information here is legal advice and should not be used as such.

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Languages

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C++
66%
C
23%
XML
9%
CMake
1%

30 Day Summary

Feb 27 2018 — Mar 29 2018

12 Month Summary

Mar 29 2017 — Mar 29 2018

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