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amesp

Amateurish molecular electronic structure program.(for linux)

arpes

arpes-code

computational-chemistry

Hartree-Fock calculations and molecular viewer implemented in python.

crx-selection-translate

让浏览任意语言的网站变得无比轻松的 Chrome 扩展程序。

ele_int1

one electron integral

ele_int2

faceswap

Non official project based on original /r/Deepfakes thread. Many thanks to him!

fci

A simple fermion FCI code

hartree-fock

Hartree-Fock Johnson program wrapped to python

hartree-fock-1

Python Implementation of the Hartree-Fock Method

hartree-fock-2

hartree-fock-3

Simple Hartree-Fock codes in Python, C++, fortran

hartree-fock-4

Solution of Hartree-Fock equations within Pople's STO-3G basis set

hartree-fock-code

Example Hartree-Fock code in Fortran

hartree_fock

Implimentation of the reduced Hartree Fock method

hartreefock

A simple Fortran 90 Hartree Fock code

hartreefock_py

Very very simple implementation of Hartree Fock method

hfpython

Hartree-Fock solver in Python with optimisations to improve convergence

itarticles

learnpython

以撸代码的形式学习Python

ltpsi

Basic Restricted-Hartree Fock Quantum Chemistry Package in Python

matgenb

Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

mcmurchie-davidson

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

meanfield

A collection of different models solved with mean field method (Hartree-Fock, Bogoliubov-deGennes,etc.)

newfounder

python-hartree-fock

Performs a mean-field calculation on the Hubbard model with DIIS convergence acceleration

quantum_chemistry

A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.

quantum_scf

realtimehartreefock

Quantum Dynamics with Hartree Fock