MCMC2 : A Monte Carlo code for multiply-charged clusters

Published: 01-03-2013| Version 1 | DOI: 10.17632/kvp2rsypbc.1
David Bonhommeau,
Marie-Pierre Gaigeot


Abstract We have implemented a Monte Carlo code in reduced units providing structural and thermodynamical properties of multiply-charged Lennard-Jones droplets A_N^n +, composed of N individual particles among which n are charged particles, each one carrying a charge qi (qi can be positive or negative). The cluster has a total net charge Q=_(i=1,n)qi (Q > 0 or Q < 0). The interactions between particles are modelled by a sum of pairwise Lennard-Jones potentials and electrostatic terms, including po... Title of program: MCMC<sup>2</sup> Catalogue Id: AENZ_v1_0 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; MCMC<sup>2</sup>; 10.1016/j.cpc.2012.10.023 AENZ_v1_1; MCMC<sup>2</sup>; 10.1016/j.cpc.2013.09.026 AENZ_v1_2; MCMC<sup>2</sup>; 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)