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 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 heat/flux heat/flux/tally hexorder/atom 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