[XtalOpt-devel] New release of XtalOpt -- CASTEP now supported

[David Lonie]

Hello all!

This is a new version announcement for XtalOpt, the free and truly
open-source genetic algorithm for predicting crystal structures.
Several users have requested that we add CASTEP support, and we have
just released a new windows installer with CASTEP support. Linux users
can obtain these changes by updating from our git repository or
downloading a new tarball of the sources. Note that if you are
building from source (e.g. not using windows), you must also update to
the most recent OpenBabel trunk, at least revision 4223, for CASTEP to
be supported.

There is a tutorial on using XtalOpt with CASTEP here:
http://xtalopt.openmolecules.net/globalsearch/docs/tut-xo-pwscf.html
(the link says PWscf, but the instructions work for either PWscf or CASTEP).

We would like to thank Chris Pickard and Judy Hart for their support
in adding CASTEP to XtalOpt.

Enjoy!
Dave