A tool for extracting basis set superposition error (BSSE) energy from output file of quantum chemistry program

• g09_calc_bsse.sh
• Learning BSSE with Tutorial visit this website.
• Updates history
  • v.1.2.0 : Supports gaussian output file
  • v.1.2.1 : Can save results as txt file
  • v.1.3.1 : Supports orca & q-chem output files
  • v.1.3.2 : Automatically search BSSE output file

$ ./g09_calc_bsse.sh

Rangsiman Ketkaew
[email protected]