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Version: 29 Aug 2024
git info: 29Aug2024-682-g570c9d190f

User Guide

  • 1. Introduction
  • 2. Install LAMMPS
  • 3. Build LAMMPS
  • 4. Run LAMMPS
  • 5. Commands
    • 5.1. LAMMPS input scripts
    • 5.2. Parsing rules for input scripts
    • 5.3. Input script structure
    • 5.4. Commands by category
    • 5.5. General commands
    • 5.6. Fix styles
    • 5.7. Compute styles
    • 5.8. Pair styles
    • 5.9. Bond styles
    • 5.10. Angle styles
    • 5.11. Dihedral styles
    • 5.12. Improper styles
    • 5.13. KSpace styles
    • 5.14. Dump styles
    • 5.15. Removed commands and packages
  • 6. Optional packages
  • 7. Accelerate performance
  • 8. Howto discussions
  • 9. Example scripts
  • 10. Auxiliary tools
  • 11. Errors

Programmer Guide

  • 1. LAMMPS Library Interfaces
  • 2. Use Python with LAMMPS
  • 3. Modifying & extending LAMMPS
  • 4. Information for Developers

Command Reference

  • Commands
  • Fixes
  • Computes
  • Pair Styles
  • Bond Styles
  • Angle Styles
  • Dihedral Styles
  • Improper Styles
  • Dump Styles
  • fix_modify AtC commands
  • Bibliography
LAMMPS
  • 5. Commands
  • 5.5. General commands
  • LAMMPS Homepage | Commands
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\(\renewcommand{\AA}{\text{Å}}\)

General commands

Fix styles

Compute styles

Pair styles

Bond styles

Angle styles

Dihedral styles

Improper styles

KSpace styles

Dump styles

5.5. General commands

An alphabetic list of general LAMMPS commands.

angle_coeff

angle_style

angle_write

atom_modify

atom_style

balance

bond_coeff

bond_style

bond_write

boundary

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

dihedral_write

dimension

displace_atoms

dump

dump_modify

echo

fix

fix_modify

geturl

group

if

improper_coeff

improper_style

include

info

jump

kspace_modify

kspace_style

label

labelmap

lattice

log

mass

minimize

min_modify

min_style

molecule

neigh_modify

neighbor

newton

next

package

pair_coeff

pair_modify

pair_style

pair_write

partition

print

processors

quit

read_data

read_dump

read_restart

region

replicate

rerun

reset_atoms

reset_timestep

restart

run

run_style

set

shell

special_bonds

suffix

thermo

thermo_modify

thermo_style

timer

timestep

uncompute

undump

unfix

units

variable

velocity

write_coeff

write_data

write_dump

write_restart

Additional general LAMMPS commands provided by packages. A few commands have accelerated versions. This is indicated by an additional letter in parenthesis: k = KOKKOS.

dynamical_matrix (k)

group2ndx

hyper

kim

fitpod

mdi

ndx2group

neb

neb/spin

plugin

prd

python

tad

temper

temper/grem

temper/npt

third_order (k)

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