XtalOpt

XtalOpt searches for the global minimum of a crystal structure's PES using a evolutionary algorithm. It is implemented as an extension to the Avogadro molecular editor and licensed under the GPL v2 or later.

More information can be found at http://xtalopt.github.io.

#Installation

An up-to-date copy of the installation instructions is maintained at:

http://xtalopt.github.io/install.html

There is also a tutorial available at:

http://xtalopt.github.io/tut.html

#License

GPL v2 or later. See COPYING.