Data structure and movement for lattice-based simulations

We show that for the lattice Boltzmann model, the existing paradigm in computer science for the choice of the data structure is suboptimal. In this paper we use the requirements of physical symmetry necessary for recovering hydrodynamics in the lattice Boltzmann description to propose a hybrid data layout for the method. This hybrid data structure, which we call a structure of an array of structures, is shown to be optimal for the lattice Boltzmann model. Finally, the possible advantages of establishing a connection between group theoretic symmetry requirements and the construction of the data structure is discussed in the broader context of grid-based methods.