General commands Fix styles Compute styles
Pair styles Bond styles Angle styles
Dihedral styles Improper styles KSpace 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 = USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT.

ackland/atom adf aggregate/atom angle angle/local
angmom/chunk basal/atom body/local bond bond/local
centro/atom centroid/stress/atom chunk/atom chunk/spread/atom cluster/atom
cna/atom cnp/atom com com/chunk contact/atom
coord/atom damage/atom dihedral dihedral/local dilatation/atom
dipole/chunk displace/atom dpd dpd/atom edpd/temp/atom
entropy/atom erotate/asphere erotate/rigid erotate/sphere erotate/sphere/atom
event/displace fep force/tally fragment/atom global/atom
group/group gyration gyration/chunk gyration/shape gyration/shape/chunk
heat/flux heat/flux/tally hexorder/atom hma improper
improper/local inertia/chunk ke ke/atom ke/atom/eff
ke/eff ke/rigid meso/e/atom meso/rho/atom meso/t/atom
momentum msd msd/chunk msd/nongauss omega/chunk
orientorder/atom pair pair/local pe pe/atom
pe/mol/tally pe/tally plasticity/atom pressure pressure/cylinder
pressure/uef property/atom property/chunk property/local ptm/atom
rdf reduce reduce/chunk reduce/region rigid/local
saed 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/num/neighs smd/ulsph/strain smd/ulsph/strain/rate
smd/ulsph/stress smd/vol snap sna/atom snad/atom
snav/atom spin stress/atom stress/mop stress/mop/profile
stress/tally tdpd/cc/atom temp (k) temp/asphere temp/body
temp/chunk temp/com temp/cs temp/deform 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 voronoi/atom
xrd