\(\renewcommand{\AA}{\text{Å}}\)
Computes
- compute ackland/atom command
- compute adf command
- compute angle command
- compute angle/local command
- compute angmom/chunk command
- compute ave/sphere/atom command
- compute basal/atom command
- compute body/local command
- compute bond command
- compute bond/local command
- compute born/matrix command
- compute centro/atom command
- compute chunk/atom command
- compute chunk/spread/atom command
- compute cluster/atom command
- compute fragment/atom command
- compute aggregate/atom command
- compute cna/atom command
- compute cnp/atom command
- compute com command
- compute com/chunk command
- compute composition/atom command
- compute contact/atom command
- compute coord/atom command
- compute count/type command
- compute damage/atom command
- compute dihedral command
- compute dihedral/local command
- compute dilatation/atom command
- compute dipole command
- compute dipole/tip4p command
- compute dipole/chunk command
- compute dipole/tip4p/chunk command
- compute displace/atom command
- compute dpd command
- compute dpd/atom command
- compute edpd/temp/atom command
- compute efield/atom command
- compute efield/wolf/atom command
- compute entropy/atom command
- compute erotate/asphere command
- compute erotate/rigid command
- compute erotate/sphere command
- compute erotate/sphere/atom command
- compute event/displace command
- compute fabric command
- compute fep command
- compute fep/ta command
- compute global/atom command
- compute group/group command
- compute gyration command
- compute gyration/chunk command
- compute gyration/shape command
- compute gyration/shape/chunk command
- compute heat/flux command
- compute hexorder/atom command
- compute hma command
- compute improper command
- compute improper/local command
- compute inertia/chunk command
- compute ke command
- compute ke/atom command
- compute ke/atom/eff command
- compute ke/eff command
- compute ke/rigid command
- compute mliap command
- compute_modify command
- compute momentum command
- compute msd command
- compute msd/chunk command
- compute msd/nongauss command
- compute nbond/atom command
- compute omega/chunk command
- compute orientorder/atom command
- compute pace command
- compute pair command
- compute pair/local command
- compute pe command
- compute pe/atom command
- compute plasticity/atom command
- compute pod/atom command
- compute podd/atom command
- compute pod/local command
- compute pod/global command
- compute pressure command
- compute pressure/alchemy command
- compute pressure/uef command
- compute property/atom command
- compute property/chunk command
- compute property/grid command
- compute property/local command
- compute ptm/atom command
- compute rattlers/atom command
- compute rdf command
- compute reaxff/atom command
- compute reduce command
- compute reduce/region command
- compute reduce/chunk command
- compute rheo/property/atom command
- compute rigid/local command
- compute saed command
- compute slcsa/atom command
- compute slice command
- compute smd/contact/radius command
- compute smd/damage command
- compute smd/hourglass/error command
- compute smd/internal/energy command
- compute smd/plastic/strain command
- compute smd/plastic/strain/rate command
- compute smd/rho command
- compute smd/tlsph/defgrad command
- compute smd/tlsph/dt command
- compute smd/tlsph/num/neighs command
- compute smd/tlsph/shape command
- compute smd/tlsph/strain command
- compute smd/tlsph/strain/rate command
- compute smd/tlsph/stress command
- compute smd/triangle/vertices command
- compute smd/ulsph/effm command
- compute smd/ulsph/num/neighs command
- compute smd/ulsph/strain command
- compute smd/ulsph/strain/rate command
- compute smd/ulsph/stress command
- compute smd/vol command
- compute sna/atom command
- compute snad/atom command
- compute snav/atom command
- compute snap command
- compute sna/grid command
- compute sna/grid/local command
- compute sph/e/atom command
- compute sph/rho/atom command
- compute sph/t/atom command
- compute spin command
- compute stress/atom command
- compute centroid/stress/atom command
- compute stress/cartesian command
- compute stress/cylinder command
- compute stress/spherical command
- compute stress/mop command
- compute stress/mop/profile command
- compute force/tally command
- compute heat/flux/tally command
- compute heat/flux/virial/tally command
- compute pe/tally command
- compute pe/mol/tally command
- compute stress/tally command
- compute tdpd/cc/atom command
- compute temp command
- compute temp/asphere command
- compute temp/body command
- compute temp/chunk command
- compute temp/com command
- compute temp/cs command
- compute temp/deform command
- compute temp/deform/eff command
- compute temp/drude command
- compute temp/eff command
- compute temp/partial command
- compute temp/profile command
- compute temp/ramp command
- compute temp/region command
- compute temp/region/eff command
- compute temp/rotate command
- compute temp/sphere command
- compute temp/uef command
- compute ti command
- compute torque/chunk command
- compute vacf command
- compute vcm/chunk command
- compute viscosity/cos command
- compute voronoi/atom command
- compute xrd command