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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