Software

The main software developed by the Center is the open source Quantum Monte Carlo program QMCPACK (http://www.qmcpack.org). Questions about this software can be sent to the Center members but for suitable topics we prefer public questions on the QMCPACK Google Group (https://groups.google.com/d/forum/qmcpack).

QMCPACK is primarily interfaced with Quantum ESPRESSO (http://www.quantum-espresso.org) for solid state calculations and GAMESS for molecular calculations (https://www.msg.chem.iastate.edu/gamess/). Recently it is interfaced with Quantum Package (https://quantum-package.readthedocs.io) from the Laboratoire de Chimie et Physique Quantiques, Universite Paul Sabatier, Toulouse.