#

loewdin

Here is 1 public repository matching this topic...

radi0sus / orca_orb

Analyzes the section 'LOEWDIN REDUCED ORBITAL POPULATIONS PER MO' in ORCA output files.

python dft python3 computational-chemistry quantum-chemistry population output orca orbitals orca-quantum-chemistry loewdin

Updated Feb 7, 2019
Python

Improve this page

Add a description, image, and links to the loewdin 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 loewdin topic, visit your repo's landing page and select "manage topics."