\(\renewcommand{\AA}{\text{Å}}\)

General commands

Fix styles

Compute styles

Pair styles

Bond styles

Angle styles

Dihedral styles

Improper styles

KSpace styles

Dump styles

5.7. Compute commands

An alphabetic list of all LAMMPS compute commands. Some styles have accelerated versions. This is indicated by additional letters in parenthesis: g = GPU, i = INTEL, k = KOKKOS, o = OPENMP, t = OPT.

ackland/atom

adf

aggregate/atom

angle

angle/local

angmom/chunk

ave/sphere/atom (k)

basal/atom

body/local

bond

bond/local

born/matrix

centro/atom

centroid/stress/atom

chunk/atom

chunk/spread/atom

cluster/atom

cna/atom

cnp/atom

com

com/chunk

contact/atom

coord/atom (k)

count/type

damage/atom

dihedral

dihedral/local

dilatation/atom

dipole

dipole/chunk

dipole/tip4p

dipole/tip4p/chunk

displace/atom

dpd

dpd/atom

edpd/temp/atom

efield/atom

efield/wolf/atom

entropy/atom

erotate/asphere

erotate/rigid

erotate/sphere (k)

erotate/sphere/atom

event/displace

fabric

fep

fep/ta

force/tally

fragment/atom

global/atom

group/group

gyration

gyration/chunk

gyration/shape

gyration/shape/chunk

heat/flux

heat/flux/tally

heat/flux/virial/tally

hexorder/atom

hma

improper

improper/local

inertia/chunk

ke

ke/atom

ke/atom/eff

ke/eff

ke/rigid

composition/atom (k)

mliap

momentum

msd

msd/chunk

msd/nongauss

nbond/atom

omega/chunk

orientorder/atom (k)

pace

pair

pair/local

pe

pe/atom

pe/mol/tally

pe/tally

plasticity/atom

pressure

pressure/alchemy

pressure/uef

property/atom

property/chunk

property/grid

property/local

ptm/atom

rattlers/atom

rdf

reaxff/atom (k)

reduce

reduce/chunk

reduce/region

rigid/local

saed

slcsa/atom

slice

smd/contact/radius

smd/damage

smd/hourglass/error

smd/internal/energy

smd/plastic/strain

smd/plastic/strain/rate

smd/rho

smd/tlsph/defgrad

smd/tlsph/dt

smd/tlsph/num/neighs

smd/tlsph/shape

smd/tlsph/strain

smd/tlsph/strain/rate

smd/tlsph/stress

smd/triangle/vertices

smd/ulsph/effm

smd/ulsph/num/neighs

smd/ulsph/strain

smd/ulsph/strain/rate

smd/ulsph/stress

smd/vol

snap

sna/atom

sna/grid

sna/grid/local

snad/atom

snav/atom

sph/e/atom

sph/rho/atom

sph/t/atom

spin

stress/atom

stress/cartesian

stress/cylinder

stress/mop

stress/mop/profile

stress/spherical

stress/tally

tdpd/cc/atom

temp (k)

temp/asphere

temp/body

temp/chunk

temp/com

temp/cs

temp/deform (k)

temp/deform/eff

temp/drude

temp/eff

temp/partial

temp/profile

temp/ramp

temp/region

temp/region/eff

temp/rotate

temp/sphere

temp/uef

ti

torque/chunk

vacf

vcm/chunk

viscosity/cos

voronoi/atom

xrd