Coding coarse grained polymer model for LAMMPS and its application to polymer crystallization

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

Abstract
We present a patch code for LAMMPS to implement a coarse grained (CG) model of poly(vinyl alcohol) (PVA). LAMMPS is a powerful molecular dynamics (MD) simulator developed at Sandia National Laboratories. Our patch code implements tabulated angular potential and Lennard-Jones-9-6 (LJ96) style interaction for PVA. Benefited from the excellent parallel efficiency of LAMMPS, our patch code is suitable for large-scale simulations.
This CG-PVA code is used to study polymer crystallization, which i...

Title of program: lammps-cgpva
Catalogue Id: AEDE_v1_0

Nature of problem
Implementing special tabular angle potentials and Lennard-Jones-9-6 style interactions of a coarse grained polymer model for LAMMPS code.

Versions of this program held in the CPC repository in Mendeley Data
AEDE_v1_0; lammps-cgpva; 10.1016/j.cpc.2009.01.028