library-g09

The GAUSSIAN QM PROGRAM CABINET:

• Example of input file for special calculation.
• Useful Script for user.

Basis Set Superposition Error (BSSE) Analysis

• g09_calc_bsse.sh (exe file is also available.)
• Learning BSSE with Tutorial visit this website.

Optimized Structure extraction

• extract the final optimized structure and save as new file in Cartesian (XYZ) coordinate.
• g09-cartesian-extract.py python code script

Disclaimer

Do not trust my assessment. This repository is personal property.