Aligning active particles py package

Abstract

The package performs molecular-dynamics-like agent-based simulations for models of aligning self-propelled particles in two dimensions such as e.g. the seminal Vicsek model or variants of it. In one class of the covered models, the microscopic dynamics is determined by certain time discrete interaction rules. Thus, it is no Hamiltonian dynamics and quantities such as energy are not defined. In the other class of considered models (that are generally believed to behave qualitatively the same) Brownian dynamics is considered. However, also there, the forces are not derived from a Hamiltonian. Furthermore, in most cases, the forces depend on the state of all particles and can not be decomposed into a sum of forces that only depend on the states of pairs of particles. Due to the above specified features of the microscopic dynamics of such models, they are not implemented in major molecular dynamics simulation frameworks to the best of the authors knowledge. Models that are covered by this package have been studied with agent-based simulations by dozens of papers. However, no simulation framework of such models seems to be openly available. The program is provided as a Python package. The simulation code is written in C. In the current version, parallelization is not implemented. Program summaryProgram Title: aligning active particles py packageCPC Library link to program files:https://doi.org/10.17632/gghrf6sz8t.1Developer's repository link:https://github.com/kuersten/aapppLicensing provisions: MITProgramming language: C / PythonNature of problem: Perform molecular-dynamics-like agent-based simulations of models for aligning active particles with interaction rules that are not following Hamiltonian dynamics and that are not restricted to pair-interactions.Solution method: Uses cell lists to find interacting particles.Additional comments including restrictions and unusual features: Does not run in parallel. Allows the usage of reflecting boundary conditions.