Tonto is a free library dedicated to quantum crystallography and quantum chemistry.

It can refine crystal structures using ab initio wavefunctions.

It can also fit electronic wavefunctions to X-ray diffraction data.


An updated release 3.1 (revision 3800) has been made.

Various linux executables have also been uploaded.

Version 3.1 and its keywords will be maintained. Please consider using it for standard jobs.

For non-standard jobs, or for bug-fixes, get the latest version using subversion.

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