計算軟件

Monte Carlo simulation package

時間:2015-11-05  來源: 文本大小:【 |  | 】  【打印

This is a Monte Carlo simulation package developed by Wei Chen.
    This package is designed for the prediction of thermodynamics property of bulk water according to the SPC/E model.
    At present it is capable of Metropolis sampling only! The available ensemble is Grand Canonical.
    Ewald summation is used for computing long-range Coulombic interactions.

The program is still developing, new features will be added soon.

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