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!
These details are provided for information only. No information here is legal advice and should not be used as such.
There are no reported vulnerabilities