Electron Repulsion Integrals on FPGA

Blog posts on best practices for Julia development

AcesIII electron repulsion integrals

A GPU library for high-throughput evaluation of the Boys function

A FORTRAN library to numerically calculate the Boys function

VeloxChem is a Python-based open source quantum chemistry software developed for computing molecular properties and a variety of spectroscopies from response theory.

MolSSI Integral Reference Project

WEST code

Multi-threaded BLAS-like library that provides pure Julia matrix multiplication

The public repository of the Chronus Quantum (ChronusQ) Software Package

Windows/macOS/Linux GUI client for GIT users

Forpy - use Python from Fortran

nwchem-libcint

I can't believe it's NonAbelian!

molecular point group symmetry lib

Generate make dependencies for Fortran code

Configuration files to configure/compile Abinit

A GPU based optimized McMurchie-Davidson recurrence relation method for electron repulsion integral evaluation

A GPU based optimized McMurchie-Davidson recurrence relation method for electron repulsion integral evaluation

A library for using machine-learned exchange-correlation functionals for density-functional theory

A Schema for Quantum Chemistry

Quantum chemistry program executor and IO standardizer (QCSchema).

Python module for VPT2 calculations using Psi4 and QCEngine.

Fortran Standard Library

oneAPI Math Library (oneMath)

Developer repository for the LATTE code

Centralized registry of fpm packages

⌨《Fortran语言实战》是一份由Fortran爱好者（Fortran-Fans）社区驱动的Fortran语言编程实战教程。