论文标题

对齐活动粒子PY包装

Aligning Active Particles Py Package

论文作者

Kürsten, Rüdiger

论文摘要

该软件包执行了基于分子 - 动力学的剂模拟,以在两个维度(例如它的开创性vicsek模型或它的变体。在一类涵盖的模型中,微观动力学由特定时间离散的交互规则确定。因此,未定义的不是哈密顿动力学和诸如能量之类的数量。在另一类考虑的模型(通常认为行为在定性上相同)中,也考虑了布朗动态。但是,在那里,部队并不是来自哈密顿量。此外,在大多数情况下,力取决于所有颗粒的状态,不能分解为仅取决于颗粒对状态的力之和。由于此类模型的微观动力学的上述特征,因此它们未在主要的分子动力学仿真框架中实现,从而获得了最佳的作者知识。该软件包涵盖的模型已通过数十篇论文进行了基于代理的模拟研究。但是,似乎没有公开可用的此类模型的模拟框架。该程序作为Python软件包提供。仿真代码用C编写。在当前版本中,未实现并行化。

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.

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