Menu

Home

dylan

=== IMPORTANT ===

This project is now hosted on GitHub

https://github.com/dylan-jayatilaka/tonto

Please go there for latest versions. This site is for historical
interest only.

=== IMPORTANT ===

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

. It refines crystal structures from the CIF file using HF and DFT wavefunctions

. It can constrain-fit these wavefunctions to X-ray diffraction data

=================

Working versions are stored in branches.

Trunk versions are not guaranteed to compile or work!

The latest working version is here:

svn checkout svn://svn.code.sf.net/p/tonto-chem/code/branches/tonto-3.2 tonto-3.2

It works for gfortran on up-to-date Linux platforms for all test jobs except
anharmonic refinements. It also works for MPICH2 parallel jobs with the same compiler.

Updates and bug-fixes to version 3.2 will continue to be added to this branch.

Developers should check out this version and merge changes here. Please check
that all test jobs pass, including tests_for_CX!

Screenshot thumbnail
Unfolded Foo code with vim omni-completion
Screenshot thumbnail
The crystal module folded under vim


Project Admins:


MongoDB Logo MongoDB