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!
In a Nutshell, XtalOpt...
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took an estimated 17 years of effort (COCOMO model)
starting with its first commit in April, 2010
ending with its most recent commit over 4 years ago
Quick Reference
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.
Project Security
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30 Day SummaryDec 5 2019 — Jan 4 2020
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12 Month SummaryJan 4 2019 — Jan 4 2020
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