MDMC2: A molecular dynamics code for investigating the fragmentation dynamics of multiply charged clusters
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https://elsevier.digitalcommonsdata.com/datasets/vr58tfvjhr
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Abstract
MDMC^2is a parallel code for performing molecular dynamics simulations on multiply charged clusters. It is a valuable complement to MCMC^2 , a Monte Carlo program devoted to Monte Carlo simulations of multiply charged clusters in the NVT ensemble (Bonhommeau and Gaigeot, 2013). Both MCMC^2and MDMC^2codes employ a mesoscopic coarse-grained simplified representation of the clusters (or droplets): these clusters are composed of neutral and charged spherical particles/grains that may be pol...
Title of program: MDMC2
Catalogue Id: AERI_v1_0
Nature of problem
We provide a general parallel code to perform the dynamics of multiply charged clusters and a serial conjugate gradient code for locally minimising configurations obtained during the dynamics. Both of these programs are compatible with the input and output files of the MCMC 2 code [1].
Versions of this program held in the CPC repository in Mendeley Data
AERI_v1_0; MDMC2; 10.1016/j.cpc.2013.10.015
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
创建时间：
2019-11-11
