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 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