E. A. J. F. Peters, G. de With
A Monte Carlo method to sample the classical configurational canonical
ensemble is introduced. In contrast to the Metropolis algorithm, where trial
moves can be rejected, in this approach collisions take place. The
implementation is event-driven, i.e., at scheduled times the collisions occur.
A unique feature of the new method is that smooth potentials (instead of only
step-wise changing ones) can be used. Besides an event-driven approach where
all particles move simultaneously, we also introduce a straight event-chain
implementation. As proof-of-principle a system of Lennard-Jones particles is
simulated.
View original:
http://arxiv.org/abs/1112.1263
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