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QWalk

QWalk is an efficient parallel Quantum Monte Carlo code by group of Lucas Wagner. From the code's webpage: "QWalk is a program developed to perform high accuracy quantum Monte Carlo calculations of electronic structure in molecules and solids. It is specifically designed as a research vehicle for new algorithms and method developments, as well as being able to scale up to large system sizes.".

The distribution also includes many convertors to automatically prepare QWalk inputs (coordinates and trial functions) from outputs of  popular molecular structure such as GAMESS, SIESTA and ABINIT.

System Grex
Version 02.08.2013