Installation instructions

Before installing tsscds, be aware that the program makes use of the following packages that need to be installed in your linux distribution:

Environment Modules
G09
GNU parallel
Python2 (with Numpy and Scipy libraries)
SQLite3
Zenity3

Other packages that might be useful to analyze the results are:
gnuplot
molden
sqlitebrowser

Note: If you do not have G09, you will not be able to use the scripts for the high-level calculations, but you still will be able to use the low-level ones.

Once the above packages are installed, go to the tsscds-SOURCE-2018 folder and install the package:

cd tsscds-SOURCE-2018

./configure

This will install tsscds2018 in $HOME/tsscds-2018 by default. If you want to install it in a different directory, use :

./configure --prefix=path_to_program

Finally, complete the installation:

make

make install

For convenience, and once "Environment Modules" has been installed, you can add to your .bashrc file the following line to use the tsscds module:

module use path_to_program/modules

where path_to_program is the path where you installed tsscds (e.g., $HOME/tsscds-2018)