SIMULATION OF THE HARD PARTICLES WITH HOOMD-BLUE PYTHON AND MONTE CARLO METHODS

Abstract

language is the mainstream tool used widely among scientific researchers. The method used in this article sets an algorithmic basis to the problem of hard particle Monte Carlo (HPMC) simulation. The HPMC represents particles as extended objects which are not allowed to overlap. There are no attractive or repulsive forces in the system. Purely hard interactions induce effective attractions between simulated particles which can lead to ordered structures. The proposed framework includes all steps for the simulation: meta language to describe particle shape, convex polyhedron integrator, system state initialization, trial moves, storing the configuration to the file system.