SYMPLER: SYMbolic ParticLE simulatoR with grid-computing interface

Published: 1 March 2014| Version 1 | DOI: 10.17632/dswr6vdrbt.1
David Kauzlarić, Marek Dynowski, Lars Pastewka, Andreas Greiner, Jan G. Korvink


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



Physical Chemistry, Surface Science, Condensed Matter Physics, Molecular Physics, Statistical Physics, Computational Physics, Fluid Dynamics, Thermodynamics, Gas