hartree-fock topic

NWChem: Open Source High-Performance Computational Chemistry

nwchemgit

QUICK: A GPU-enabled ab intio quantum chemistry software package

merzlab

Fermi quantum chemistry program

FermiQC

Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)

diffqc

do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals

jjgoings

🎉 Simple restricted Hartree-Fock code in Python

ipudu

Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2

jarvist

erikkjellgren

Exploring the computational power of fermionic quantum systems. Ab initio computation and basis set optimization for electronic structure problems.

frankwswang

A program implementing the Hartree–Fock (also post-HF: MP2, CCSD(T), CIS and TDHF/RPA)/self-consistent field method (also DIIS) with Gaussian orbitals

aromanro