Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performanc…

Links to Fortran compilers, preprocessors, formatters, static analyzers, transpilers, IDEs, build systems, etc.

QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experiments

Repository for PseudopotentialLibrary.org website and database

ALCF Computational Performance Workshop

Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

AOMP is an open source Clang/LLVM based compiler with added support for the OpenMP® API on Radeon™ GPUs. Use this repository for releases, issues, documentation, packaging, and examples.