User Manual and Source Code for a LAMMPS Implementation of Constant Energy Dissipative Particle Dynamics (DPD-E)

Autor: William D. Mattson, John K. Brennan, James P. Larentzos, Joshua D. Moore
Rok vydání: 2014
Předmět:
DOI: 10.21236/ada606466
Popis: A user manual and source code files are provided for the implementation of the constant energy Dissipative Particle Dynamics method into the highly scalable Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) simulation software. The current LAMMPS velocity-Verlet (VV) integration scheme is extended to model systems under isoenergetic cases. In addition, the Shardlow-splitting algorithm is provided as an alternative integration scheme that enables longer time steps with comparable accuracy to the VV integration scheme.
Databáze: OpenAIRE