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
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 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