MontePython: Implementing Quantum Monte Carlo using Python
arXiv:physics/0609191 · doi:10.1016/j.cpc.2007.06.013
Abstract
We present a cross-language C++/Python program for simulations of quantum mechanical systems with the use of Quantum Monte Carlo (QMC) methods. We describe a system for which to apply QMC, the algorithms of variational Monte Carlo and diffusion Monte Carlo and we describe how to implement theses methods in pure C++ and C++/Python. Furthermore we check the efficiency of the implementations in serial and parallel cases to show that the overhead using Python can be negligible.
pdfeTeX, 17 pages, 10 Postscript figures, submitted to Comp. Phys. Comm. 20060901
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