Installation instructions
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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
Note: If you do not have G09, you will not be able to use the scripts for the high-levelcalculations, but you still will be able to use the low-level ones_
These packages might also be useful to analyze the results:
gnuplot
molden
sqlitebrowser
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)