LAMMPS for beginners - Sandia National Laboratories

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A brief introduction to LAMMPSLAMMPS: Large-scale Atomic/Molecular Massively Parallel Simulator• Massively parallel, general purpose particle simulation code.• Developed at Sandia National Laboratories, withcontributions from many labs throughout the world.• Over 170,000 lines of code.• 14 major releases since September 2004• Continual (many times per week) releases of patches (bugfixes and patches)• Freely available for download under GPLlammps.sandia.govTens of thousands of downloads since September 2004Open source, easy to understand C++ codeEasily extensible
How to download, install, and use LAMMPS• Download page:lammps.sandia.gov/download.html• Installation instructions:lammps.sandia.gov/doc/Section_start.htmlgo to lammps/srctype “make your_system_type”• To perform a simulation:lmp < my_script.in
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 10 and 11: How to get help with LAMMPS1. Excel
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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