Liu Jiwen, Luijten Erik
Department of Materials Science and Engineering and Frederick Seitz Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA.
Phys Rev E Stat Nonlin Soft Matter Phys. 2005 Jun;71(6 Pt 2):066701. doi: 10.1103/PhysRevE.71.066701. Epub 2005 Jun 2.
We present a detailed description of the generalized geometric cluster algorithm for the efficient simulation of continuum fluids. The connection with well-known cluster algorithms for lattice spin models is discussed, and an explicit full cluster decomposition is derived for a particle configuration in a fluid. We investigate a number of basic properties of the geometric cluster algorithm, including the dependence of the cluster-size distribution on density and temperature. Practical aspects of its implementation and possible extensions are discussed. The capabilities and efficiency of our approach are illustrated by means of two example studies.
