#

contracted-gto

Here is 1 public repository matching this topic...

dzik143 / hfr-cpp

[ARCHIVE/2009] Hartree-Fock-Roothan (C++)

cplusplus quantum-chemistry gto hartree-fock lcao gaussian-orbitals contracted-gto molecular-integrals

Updated Oct 26, 2020
C++

Improve this page

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