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Article Dans Une Revue Computer Physics Communications Année : 2014

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

Résumé

This new version of the MCMC2 program for modeling the thermodynamic and structural properties ofmultiply-charged clusters by means of parallel classical Monte Carlo methods provides some enhancementsand corrections to the earlier version [1]. In particular, histograms for negatively and positivelycharged particles are separated, parallel Monte Carlo simulations can be performed by attempting exchangesbetween all the replica pairs and not only one randomly chosen pair, a new random numbergenerator is supplied, and the contribution of Coulomb repulsion to the total heat capacity is corrected.The main functionalities of the original MCMC2 code (e.g., potential-energy surfaces and Monte Carlo algorithms)have not been modified.
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Dates et versions

hal-01078652 , version 1 (30-10-2014)

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David Bonhommeau, Marius Lewerenz, Marie-Pierre Gaigeot. MCMC2 (version 1.1): A Monte Carlo code for multiply-charged clusters. Computer Physics Communications, 2014, 185 (3), pp.1188-1191. ⟨10.1016/j.cpc.2013.09.026⟩. ⟨hal-01078652⟩
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