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Top 5 hartree-fock open source projects

Haskell-abinitio

contains a package in Haskell to calculate the electronic structure properties of molecules using the Hartree-Fock method

✭ 14

haskell physics quantum-chemistry simulations hartree-fock

Hartree Fock solver

✭ 19

Jupyter Notebook fortran python CMake c C++density-functional-theory hartree-fock electronic-structure

Fermi quantum chemistry program

✭ 107

julia chemistry physics quantum-chemistry mp2 hartree-fock molecular-modeling coupled-cluster

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

✭ 79

c fortran Cuda basic C++CMake chemistry gpu parallel-computing cuda density-functional-theory computational-chemistry gpu-acceleration quantum-chemistry hartree-fock electronic-structure-calculations

🎉 Simple restricted Hartree-Fock code in Python

✭ 30

python computational-chemistry hartree-fock

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