Official public repository for the XtalOpt crystallographic evolutionary algorithm
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README.md

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XtalOpt

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.

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

The "New" BSD License. See COPYING.

Authors

All contributors, in alphabetical order:

========= Included sources from various projects are found under:

These files, other than some minor modifications for interoperability with XtalOpt/libglobalsearch, are the works of the copyright holders specified in the source files.