LAMMPS is a classical molecular dynamics code with a focus on materials modeling. It's an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems.

There were ~405,000 downloads of LAMMPS from Sept 2004 thru mid-year 2021. At that point we migrated our website to https://www.lammps.org and a different server, and stopped logging downloads. LAMMPS molecular dynamics package:

Axel Kohlmeyer organized a LAMMPS Users and Developers Workshop and Symposium at the International Centre for Theroretical Phyics (ICTP) in Trieste, Italy in March 2014. See details of the program at this link. Steve Plimpton: LAMMPS Overview; Simple LAMMPS Examples; Modeling Thermal Transport and Viscosity with MD; Modifying and Extending LAMMPS

The forum replaces the lammps-users mailing list which was discontinued on June 30th, 2022.

LUNAR stands for LAMMPS Utility (for) Network Analysis (and) Reactivity and is a stand alone Python (3.7+) toolkit to supplement LAMMPS. LUNAR is focused on pre-processing and post-processing inputs and outputs of LAMMPS with emphasis of using LAMMPS for producing structure-property relationships for ICME process modeling of polymers.

Porting LAMMPS to GPUs Still largely a research effort Marc Adams (Nvidia) Pratul Agarwal (ORNL) Sarah Anderson (Cray) Mike Brown (Sandia) Paul Crozier (Sandia) Massimiliano Fatica (Nvidia) Scott Hampton (ORNL) Ricky Kendall (ORNL) Hyesoon Kim (Ga Tech) Axel Kohlmeyer (Temple) Doug Kothe (ORNL) Scott LeGrand (Nvidia) Ben Levine (Temple)

Citing LAMMPS in your papers The following CPC paper is the canonical reference to use for citing LAMMPS. It gives an overview of the code including its parallel algorithms, design features, performance, and brief highlights of many of its materials modeling capabilities.

LAMMPS workshop, August 2013 ReaxFF simulation of graphene breakup during oxidation (by Sriram Srinivasan; Srinivasan et al. JPC-A 2011) ReaxFF structure of a TiO 2 nanoparticle in water (by Murali Raju; Raju et al. JPC-C 2013)

making LAMMPS a true "object" that can be instantiated multiple times, e.g. as a library : Ben FrantzDale (RPI) - pymol_asphere viz tool : Mike Brown (Sandia) 2007 : NEMD SLLOD integration : Pieter in 't Veld (Sandia) - tensile and shear deformations : Pieter in 't Veld (Sandia) - GayBerne potential : Mike Brown (Sandia) - ellipsoidal particles ...

The LAMMPS implementation of peridynamic elastic-plastic model is still in beta phase. Any bug or issue can be informed to the authors through [email protected]. 5 Acknowledgment The authors are thankful to Steve Plimpton for the useful suggestions re-garding the code development for extending PDLAMMPS for elastic-plastic model. References