hartree-fock
An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimization
C++ and Python library for Polarizable Embedding
Lightweight Python engine for electronic structure and quantum dynamics.
GPU Accelerated Numerical Simulation Utility for Quantum Chemistry
🎉 Simple restricted Hartree-Fock code in Python
Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
