LAMMPS for beginners - Sandia National Laboratories

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How to get help with LAMMPS1. Excellent User’s Manual:http://lammps.sandia.gov/doc/Manual.htmlhttp://lammps.sandia.gov/doc/Section_commands.html#3_52. Search the web: can include “lammps-users” as a search keyword tosearch old e-mail archives3. Try the wiki: http://lammps.wetpaint.com/4. Send e-mail to the user’s e-mail list:http://lammps.sandia.gov/mail.html5. Contact LAMMPS developers: http://lammps.sandia.gov/authors.htmlSteve Plimpton, sjplimp@sandia.govAidan Thompson, athomps@sandia.govMike Brown, wmbrown@sandia.govPaul Crozier, pscrozi@sandia.gov
Force fields available in LAMMPS• Biomolecules: CHARMM, AMBER, OPLS, COMPASS (class 2),long-range Coulombics via PPPM, point dipoles, ...• Polymers:all-atom, united-atom, coarse-grain (bead-spring FENE),bond-breaking, …• Materials:EAM and MEAM for metals, Buckingham, Morse, Yukawa,Stillinger-Weber, Tersoff, AI-REBO, Reaxx FF, ...• Mesoscale:granular, DPD, Gay-Berne, colloidal, peri-dynamics,DSMC ...• Hybrid:can use combinations of potentials for hybrid systems:water on metal, polymers/semiconductor interface,colloids in solution, …
Page 2 and 3: A brief introduction to MD• MD: m
Page 4 and 5: MD in the Middle• Quantum mechani
Page 6 and 7: Classical MD in Parallel• MD is i
Page 8 and 9: A brief introduction to LAMMPSLAMMP
Page 12 and 13: Easily add your own LAMMPS feature
Page 14 and 15: Particle-mesh Methods for Coulombic
Page 16 and 17: Time Scale of Molecular Dynamics•
Page 18 and 19: Length Scale of Molecular Dynamics
Page 20 and 21: Melt Interface in NiAl• Mark Asta
Page 22 and 23: Shear Response of Cu Bicrystal• D
Page 24 and 25: 3d Membrane Self-Assembly• Mark S
Page 26 and 27: • Mike Brown (Sandia)Aspherical N
Page 28 and 29: LAMMPS’s Reactive Force Fields Ca
Page 30 and 31: [1000]MD Simulation of Shock-induce
Page 32 and 33: Rhodopsin photoisomerization simula
Page 34 and 35: Transition in retinal’s interacti
Page 36 and 37: Radiation damage simulations► Rad
Page 38 and 39: Defect analysis► How the defect a
Page 40 and 41: Future areas of LAMMPS development

LAMMPS for beginners - Sandia National Laboratories

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