XtalOpt searches for the global minimum of a crystal structure's potential energy surface using an evolutionary algorithm. It is licensed with the "New" BSD license.
More information can be found at http://xtalopt.github.io.
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
The "New" BSD License. See COPYING.
All contributors, in alphabetical order:
- Patrick Avery psavery@buffalo.edu
- Zackary Falls zmfalls@buffalo.edu
- Allison Vacanti allison.vacanti@kitware.com
========= Included sources from various projects are found under:
- external/pugixml https://pugixml.org/
- external/randSpg http://xtalopt.openmolecules.net/randSpg/randSpg.html
- external/spglib https://atztogo.github.io/spglib/
- external/xtalcomp http://xtalopt.openmolecules.net/xtalcomp/xtalcomp.html
These files, other than some minor modifications for interoperability with XtalOpt/libglobalsearch, are the works of the copyright holders specified in the source files.