Code

The following codes are maintained at UT:

vtstcode: modules for calculating rates withing the VASP DFT code
vtstscripts: shell and perl scripts for analysing results of VASP calculations
akmc: script for adaptive kinetic Monte Carlo using VASP
bader: Bader analysis of charge density files
dos: site-projected DOS in Bader volumes
eon: distributed computing code for simulating molecular dynamics over long times
tsase: an extension to ASE for transition state calculations

The latest version of these codes can be downloaded anonymously using the command:

svn co http://theory.cm.utexas.edu/svn/repo

where repo is one of the code projects.

Questions and discussion of the code and issues with using the software can be found on our developer's forum. There is also a wiki with more current information and instructions about using these codes.

Developers

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, Gman, vtstcode, vtstscripts, and tsse.

svn checkout svn+ssh://username@theory.cm.utexas.edu/svn/repo

where username is your username on theory.cm.utexas.edu and repo is one of the previously listed repositories.

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:

svn update

If you have made changes to the code you can see what files you have changed by running the command:

svn status

or if you would like to see a diff between the version you checked out versus what you have modified locally you can run:

svn diff

and to commit the changes you have made:

svn commit -m "a brief message about your changes"