MCMC2 (version 1.1): A Monte Carlo code for multiply-charged clusters

Abstract
This new version of the MCMC^2program for modeling the thermodynamic and structural properties of multiply-charged clusters by means of parallel classical Monte Carlo methods provides some enhancements and corrections to the earlier version [1]. In particular, histograms for negatively and positively charged particles are separated, parallel Monte Carlo simulations can be performed by attempting exchanges between all the replica pairs and not only one randomly chosen pair, a new random numb...

Title of program: MCMC²
Catalogue Id: AENZ_v1_1

Nature of problem
We provide a general parallel code to investigate structural and thermodynamic properties of multiply charged clusters.

Versions of this program held in the CPC repository in Mendeley Data
AENZ_v1_0; MCMC²; 10.1016/j.cpc.2012.10.023
AENZ_v1_1; MCMC²; 10.1016/j.cpc.2013.09.026
AENZ_v1_2; MCMC²; 10.1016/j.cpc.2015.06.017

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

程序摘要
本版本的MCMC²程序采用并行经典蒙特卡洛（Monte Carlo）方法对多电荷团簇的热力学与结构性质进行建模，相较此前发布的版本[1]完成了多项改进与修正。具体而言，程序将带负电与带正电粒子的直方图分离，且并行蒙特卡洛模拟不再仅随机选取单一对副本进行交换，而是支持所有副本对之间的交换尝试，并新增了随机数……

程序名称：MCMC²
目录编号：AENZ_v1_1

问题描述
本项目提供一款通用并行代码，用于研究多电荷团簇的结构与热力学性质。

Mendeley数据集中的CPC程序库所收录的本程序版本如下：
AENZ_v1_0；MCMC²；DOI:10.1016/j.cpc.2012.10.023
AENZ_v1_1；MCMC²；DOI:10.1016/j.cpc.2013.09.026
AENZ_v1_2；MCMC²；DOI:10.1016/j.cpc.2015.06.017

本程序源自贝尔法斯特女王大学托管的CPC程序库（1969-2018年）