#

gvpt2

Here is 1 public repository matching this topic...

SebRoLENS / orca-ped-analyzer

Potential energy distribution (PED), vibrational-mode assignment and VPT2/IR analysis from ORCA Hessian outputs.

python dft python-script python3 computational-chemistry quantum-chemistry avogadro normal-modes vibrational-analysis normal-mode-analysis vibrational-spectroscopy infrared-spectroscopy dft-calculations normal-mode-sampling avogadro2 vpt2 gvpt2 potential-energy-distribution

Updated Aug 14, 2026
Python

Improve this page

Add a description, image, and links to the gvpt2 topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the gvpt2 topic, visit your repo's landing page and select "manage topics."