This library is an extension of ASE. A working version must be installed before use of TSASE.
A read-only copy of the code can be anonymously checked out of the subversion repository with the following command:
svn co https://theory.cm.utexas.edu/svn/tsase
If you are a developer you can checkout the code using the command:
svn co svn+ssh://username@theory.cm.utexas.edu/svn/tsase
This will fetch a copy of the latest code to a local directory named tsase.
The tsase code can also be download directly at tarfile.
Assuming that TSASE was downloaded to $HOME, go to $HOME/tsase/tsase and run:
make
By default, the GNU compiler collection is used for the compilation. If an alternate
compiler suite is desired (for instance, Intel compilers), edit the value of the FCOMP
variable in $HOME/tsase/tsase/Makefile to intelem.
To list possible values for FCOMP, run the following:
f2py -c --help-fcompiler
Once you have a local copy of tsase, include the top directory to your $PYTHONPATH.
To use the independent scripts, it is recommended to add $HOME/tsase/tsase/bin to your $PATH:
export PYTHONPATH=$HOME/tsase:$PYTHONPATH
export PATH=$HOME/tsase/bin:$PATH
For more information on subversion read its online documentation.