LAMMPS WWW Site

User-contributed LAMMPS input scripts and howto explanations


This page is for user-contributed content of interest to other LAMMPS users. The intent is to provide a forum for anyone to illustrate how they do something with LAMMPS, so that others can learn or ask questions. Or use it as a starting point for something they wish to do.

If you wish to contribute an entry, email the following info and files to either the LAMMPS mail list at "lammps-users at lists.sourceforge.net", or to one of the developers, at a level of detail similar to what is shown below.

Please use the following style of file names for consistency:


Entries:

16 Sep 2016 Create atoms on lattice with variable spacing Axel Kohlmeyer akohlmey at gmail.com howto.txt, box.pnm
11 Jun 2014 Graphene patch generator - usage: lmp_machine -v n -v m < in.graphene Evgeni Penev epenev at rice.edu in.graphene
31 Jan 2014 include only 1-4 special interactions in the LJ potential Orestis Alexiadis orestis at iceht.forth.gr in.NoVDW
10 Jan 2012 Test LAMMPS PPPM implementation by recalculating the Madelung Constant Jan-Michael Carrillo janmikel at gmail.com in.Madelung, data.Madelung, Madelung.pdf
10 Jan 2012 Single LJ particle langevin dynamics Jan-Michael Carrillo janmikel at gmail.com in.SingleParticle, data.SingPart, r2_vs_dt.jpg
10 Jan 2012 DPD thermostated liquid of LJ chains sheared between (111) fcc walls Laurent Joly laurent.joly at univ-lyon1.fr in.shear, chain.pl, dump.0.jpg, dump.200000.jpg
10 Jan 2012 Energy of void in fcc copper crystal under uni-axial deformation (tensile) Qing Peng qpeng.org at gmail.com in.Cu_void_tensile, dump1d13.jpg
10 Jan 2012 capillary filling of a CNT with water Laurent Joly laurent.joly at univ-lyon1.fr in.cnt, cnt.pl, n30.jpg
16 Sep 2011 store a min or max value over the course of a run Steve Plimpton sjplimp at sandia.gov minmax.txt
15 Sep 2011 A script to determine C44, same procedure for C11 and C12 Raouf Mbarki rmbarki at uh.edu in.elastic_NVT_Shear, Readme_Elastic_constants.txt
8 Aug 2011 heated Brownian particle Laurent Joly laurent.joly at univ-lyon1.fr in.brown, data.pl, fix_ave_sph.cpp, fix_ave_sph.h
8 Aug 2011 DPD, counter-flowing Poiseuille flow Litvinov Sergey slitvinov at gmail.com in.dpd, av.gp, av.jpg
21 Oct 2010 Two-phase simulation for calculation of melting line (aluminum) Sergey Starikov starikov at ihed.ras.ru in.two_phase_simulation, al_melt.jpg
18 Oct 2010 Dynamics of void growth in aluminum melt Vasily Pisarev pisarevvv at gmail.com in.void.al.growth, data.void.in.melt, alcu.foiles.eam.alloy, surface.jpg
2 Oct 2010 triangular patchy particles with fix rigid command Steve Plimpton sjplimp at sandia.gov in.tri, data.tri, tri.py, image.jpg
2 Oct 2010 patchy bucky-ball simulation with fix rigid command Steve Plimpton sjplimp at sandia.gov in.bucky, data.bucky, bucky.py, bucky.jpg