Welcome to TTMolE Documentation

Version Currently Released : 1.0.2

This is a python based program created to help in the creation of molecular files for theoretical chemistry programs like VASP, TURBOMOLE, LAMMPS, ORCA, SIESTA and GAUSSIAN.

Any feedback please email jeremynschroeder@gmail.com Created by Jeremy Schroeder © 2024

For Reporting Bugs go to https://github.com/jerschro/ttmole_documentation/issues and create a new issue.

How to run TTMole

1. Download TTMolE.exe and run.
2. Copy alias alias ttmole='/home/jerschro/conda/bin/python3 /home/jerschro/TTMolE/main.py' and paste in .bashrc file, then run command ttmole [filename].
3. git clone repository and run command listed where you downloaded the source code. python3 main.py
4. More detailed information on the Installation Page

TTMolE Program