QWalk: A Quantum Monte Carlo Program for Electronic Structure
arXiv:0710.4361
Abstract
We describe QWalk, a new computational package capable of performing Quantum Monte Carlo electronic structure calculations for molecules and solids with many electrons. We describe the structure of the program and its implementation of Quantum Monte Carlo methods. It is open-source, licensed under the GPL, and available at the web site http://www.qwalk.org
12 pages, 3 figures, describes code available at http://www.qwalk.org