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QMCPACK is an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.

Downloads

Latest release

See the complete list of releases for more info. The latest development source code is available on GitHub.

 

 

Documentation

Please see the latest QMCPACK manual PDF.

 

Getting Started

Follow the Getting Started Guide in the latest QMCPACK manual PDF.