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

摘要

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.