SYMPLER: SYMbolic ParticLE simulatoR with grid-computing interface

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018) Abstract We present the main design concepts of the object-oriented particle dynamics code SYMPLER. With this freely available software, simulations can be performed ranging from microscopic classical molecular dynamics up to the Lagrangian particle-based discretisation of macroscopic continuum mechanics equations. We show how the runtime definition of arbitrary degrees of freedom and of arbitrary equations of motion allows for modular and symbolic computation with high flexibility. Arbitrary symbolic... Title of program: SYMPLER Catalogue Id: AERQ_v1_0 Nature of problem A unified flexible and modular simulation tool allowing for the investigation of structural, thermodynamic, and dynamical properties of fluids and solids from microscopic over mesoscopic up to macroscopic time and length scales with suitable particle based simulation methods such as molecular dynamics, dissipative particle dynamics or smoothed particle hydrodynamics. The user should be enabled to freely define his own physical models without the need for recoding or code extensions. Versions of this program held in the CPC repository in Mendeley Data AERQ_v1_0; SYMPLER; 10.1016/j.cpc.2013.11.017本程序源自贝尔法斯特女王大学（Queen's University Belfast）馆藏的CPC程序库（1969-2018年）。 **摘要** 本文介绍了面向对象粒子动力学代码SYMPLER的核心设计理念。这款可自由获取的软件支持的模拟范围覆盖从微观经典分子动力学，到基于拉格朗日粒子的宏观连续介质力学方程离散化的各类场景。本文阐述了如何通过任意自由度与任意运动方程的运行时定义，实现高灵活性的模块化符号计算。任意符号…… **程序名称**：SYMPLER **目录编号**：AERQ_v1_0 **问题本质**：本程序是一款统一、灵活且模块化的模拟工具，可通过适配的基于粒子的模拟方法（如分子动力学、耗散粒子动力学或光滑粒子流体动力学），研究从微观、介观到宏观时空尺度下流体与固体的结构、热力学及动力学特性。用户可自由自定义物理模型，无需重新编码或扩展程序代码。 **孟德尔莱数据（Mendeley Data）中CPC程序库收录的本程序版本**：AERQ_v1_0；SYMPLER；10.1016/j.cpc.2013.11.017