#

fock

Here is 1 public repository matching this topic...

AlexB67 / hfscf

A small ab initio package for electronic structure calculations.

gradient hessian frequencies uhf saika fock crawdad hartree rhf obara vibrational

Updated Mar 5, 2022
C++

Improve this page

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