MontePython: Implementing Quantum Monte Carlo using Python
计算物理
2009-11-13 v1 其他凝聚态物理
摘要
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.
引用
@article{arxiv.physics/0609191,
title = {MontePython: Implementing Quantum Monte Carlo using Python},
author = {J. K. Nilsen},
journal= {arXiv preprint arXiv:physics/0609191},
year = {2009}
}
备注
pdfeTeX, 17 pages, 10 Postscript figures, submitted to Comp. Phys. Comm. 20060901