MCMC2 : A Monte Carlo code for multiply-charged clusters

We have implemented a Monte Carlo code in reduced units providing structural and thermodynamical properties of multiply-charged Lennard-Jones droplets A 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 polarisation. The cluster statistical properties can be obtained from (i) parallel Monte Carlo simulations whose replicas are run at different temperatures, from configurationswith same number of charged particles n and same individual charges qi (Parallel TemperingMonte Carlo), or (ii) parallelMonte Carlo simulationswhose replicas are run at the same temperature but fromconfigurationswith different qi orn (Parallel ChargingMonte Carlo). The code provides statistical data (evaporation rates, acceptance/rejection rates, etc.), energetic data (mean energies, heat capacities, etc.), and structural data (radial and angular distributions), for comprehensive analyses. A complete manual of the code is provided.