1. LAMMPS commands | http://lammps.sandia.gov


angle_coeff angle_style atom_modify atom_style balance bond_coeff
bond_style bond_write boundary box change_box clear
comm_modify comm_style compute compute_modify create_atoms create_bonds
create_box delete_atoms delete_bonds dielectric dihedral_coeff dihedral_style
dimension displace_atoms dump dump image dump_modify dump movie
echo fix fix_modify group if info
improper_coeff improper_style include jump kspace_modify kspace_style
label lattice log mass minimize min_modify
min_style molecule neb neigh_modify neighbor newton
next package pair_coeff pair_modify pair_style pair_write
partition prd print processors python quit
read_data read_dump read_restart region replicate rerun
reset_timestep restart run run_style set shell
special_bonds suffix tad temper thermo thermo_modify
thermo_style timer timestep uncompute undump unfix
units variable velocity write_coeff write_data write_dump
write_restart          



2. Reference

Introduction to Materials Modelling, Z.H. Barber, London, Maney (2005).

Ellad B. Tadmor and Ronald E. Miller, Modeling Materials: Continuum, Atomistic and Multiscale Techniques, Cambridge University Press (2011).

Frenkel, D., and B. Smit. Understanding Molecular Simulation. 2nd ed. Burlington, MA: Academic Press, 2001).

Zienkiewicz OC, Taylor RL. The finite element method, 5th Edition. Oxford: Butterworth Heinemann (2000).

Handbook of Materials Modeling. S. Yip, Springer, New York (2005).

Wei Cai, "Introduction to Molecular Simulations," (PDF) , 2007.

Ju Li, "Basic molecular dynamics," (PDF) Chap. 2.8 in Handbook of Materials Modeling, ed. S. Yip (Springer, Dordrecht, 2005), pp. 565-588. ISBN: 1402032870.

Wei Cai, Ju Li and Sidney Yip, "Molecular Dynamics," (PDF) (Elsevier, 2012), edited by R.J.M. Konings, vol. 1, p. 249-265.

M. P. Allen, D.J. Tildesley, "Computer simulation of liquids," (PDF) (Oxford Science Publications, 1987).

R. W. Cahn, "The coming of materials science (chapter 12)," (PDF) (Cambridge Univ Press, 2001).

D. Raabe, "Computational materials science: the simulation of materials microstructures and properties (Chapter 1)," (PDF) (Wiley, VCH, 1998).



K Capelle, "A Bird’s-Eye View of Density-Functional Theory," (PDF)(Brazilian Journal of Physics, 2006)

N Argaman, G Makov, "Density Functional Theory — an introduction," (PDF)(American Journal of Physics, 2000)