XtalOpt v14.0.0

XtalOpt 14.0.0 features:

• Variable-composition search option,
• Pareto optimization with tournament selection and scalar fitness,
• New genetic operations: permutomic, permucomp, and random supercell expansion,
• Support for using sub-system seed structures,
• A new similarity check scheme: dot product of radial distribution functions,
• New option for specifying volume limits for each element,
• Explicit support for MTP machine learning potentials as a local optimizer,
• Interface script for machine learning universal interatomic potentials,
• Option for convex hull data output in various stages of the run,

and ... various improvements and bug fixes.

The new options are available in both CLI and GUI of the code. For more information, see the XtalOpt website and its user guide.