- vtsttools: scripts and modules for calculating transition states with the VASP DFT code
- bader: Bader analysis of charge density files
- eon: code for simulating molecular dynamics over long times
- tsase: an extension to ASE for transition state calculations
- pyamff: a set of tools for fitting and using atomistic machine learning potentials
- kdb: kinetic database
All of these codes are free software: you can redistribute them and/or modify them under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. A copy of the GNU General Public License is available at http://www.gnu.org/licenses/.
The latest version of these codes can be downloaded anonymously using the command:
For the latest version of PyAMFF code, use the command:
Questions and discussion of the code and issues with using the software can be found on our developer's forum.
Developers with an account on theory can access and modify the codes.
Using svn and ssh the following repositories can be checked out of svn: bader, eon, vtstcode, vtstscripts, and tsase.
At any point you can update to the latest version of the code by running the following command in the directory where you initially checked out the code: