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Computes
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LAMMPS documentation
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User Documentation
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1. Introduction
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2. Getting Started
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3. Commands
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4. Packages
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<li
class=
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5. Accelerating LAMMPS performance
</a></li>
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6. How-to discussions
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<li
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7. Example problems
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8. Performance
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scalability
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9. Additional tools
</a></li>
<li
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class=
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href=
"Section_modify.html"
>
10. Modifying
&
extending LAMMPS
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"Section_python.html"
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11. Python interface to LAMMPS
</a></li>
<li
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"toctree-l1"
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12. Errors
</a></li>
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13. Future and history
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<p
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Index
</span></p>
<ul
class=
"current"
>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"tutorials.html"
>
Tutorials
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"commands.html"
>
Commands
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"fixes.html"
>
Fixes
</a></li>
<li
class=
"toctree-l1 current"
><a
class=
"current reference internal"
href=
"#"
>
Computes
</a><ul>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_ackland_atom.html"
>
compute ackland/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_angle.html"
>
compute angle command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_angle_local.html"
>
compute angle/local command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_angmom_chunk.html"
>
compute angmom/chunk command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_basal_atom.html"
>
compute basal/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_body_local.html"
>
compute body/local command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_bond.html"
>
compute bond command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_bond_local.html"
>
compute bond/local command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_centro_atom.html"
>
compute centro/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_chunk_atom.html"
>
compute chunk/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_cluster_atom.html"
>
compute cluster/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_cna_atom.html"
>
compute cna/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_com.html"
>
compute com command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_com_chunk.html"
>
compute com/chunk command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_contact_atom.html"
>
compute contact/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_coord_atom.html"
>
compute coord/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_damage_atom.html"
>
compute damage/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_dihedral.html"
>
compute dihedral command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_dihedral_local.html"
>
compute dihedral/local command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_dilatation_atom.html"
>
compute dilatation/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_dipole_chunk.html"
>
compute dipole/chunk command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_displace_atom.html"
>
compute displace/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_dpd.html"
>
compute dpd command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_dpd_atom.html"
>
compute dpd/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_erotate_asphere.html"
>
compute erotate/asphere command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_erotate_rigid.html"
>
compute erotate/rigid command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_erotate_sphere.html"
>
compute erotate/sphere command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_erotate_sphere_atom.html"
>
compute erotate/sphere/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_event_displace.html"
>
compute event/displace command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_fep.html"
>
compute fep command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_group_group.html"
>
compute group/group command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_gyration.html"
>
compute gyration command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_gyration_chunk.html"
>
compute gyration/chunk command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_heat_flux.html"
>
compute heat/flux command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_hexorder_atom.html"
>
compute hexorder/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_improper.html"
>
compute improper command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_improper_local.html"
>
compute improper/local command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_inertia_chunk.html"
>
compute inertia/chunk command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_ke.html"
>
compute ke command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_ke_atom.html"
>
compute ke/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_ke_atom_eff.html"
>
compute ke/atom/eff command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_ke_eff.html"
>
compute ke/eff command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_ke_rigid.html"
>
compute ke/rigid command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_meso_e_atom.html"
>
compute meso/e/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_meso_rho_atom.html"
>
compute meso/rho/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_meso_t_atom.html"
>
compute meso/t/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_msd.html"
>
compute msd command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_msd_chunk.html"
>
compute msd/chunk command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_msd_nongauss.html"
>
compute msd/nongauss command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_omega_chunk.html"
>
compute omega/chunk command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_orientorder_atom.html"
>
compute orientorder/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_pair.html"
>
compute pair command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_pair_local.html"
>
compute pair/local command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_pe.html"
>
compute pe command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_pe_atom.html"
>
compute pe/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_plasticity_atom.html"
>
compute plasticity/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_pressure.html"
>
compute pressure command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_property_atom.html"
>
compute property/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_property_chunk.html"
>
compute property/chunk command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_property_local.html"
>
compute property/local command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_rdf.html"
>
compute rdf command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_reduce.html"
>
compute reduce command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_reduce.html#compute-reduce-region-command"
>
compute reduce/region command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_rigid_local.html"
>
compute rigid/local command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_saed.html"
>
compute saed command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_slice.html"
>
compute slice command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_contact_radius.html"
>
compute smd/contact/radius command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_damage.html"
>
compute smd/damage command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_hourglass_error.html"
>
compute smd/hourglass/error command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_internal_energy.html"
>
compute smd/internal/energy command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_plastic_strain.html"
>
compute smd/plastic/strain command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_plastic_strain_rate.html"
>
compute smd/plastic/strain/rate command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_rho.html"
>
compute smd/rho command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_defgrad.html"
>
compute smd/tlsph/defgrad command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_dt.html"
>
compute smd/tlsph/dt command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_num_neighs.html"
>
compute smd/tlsph/num/neighs command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_shape.html"
>
compute smd/tlsph/shape command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_strain.html"
>
compute smd/tlsph/strain command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_strain_rate.html"
>
compute smd/tlsph/strain/rate command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_stress.html"
>
compute smd/tlsph/stress command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_triangle_mesh_vertices.html"
>
compute smd/triangle/mesh/vertices
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_ulsph_num_neighs.html"
>
compute smd/ulsph/num/neighs command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_ulsph_strain.html"
>
compute smd/ulsph/strain command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_ulsph_strain_rate.html"
>
compute smd/ulsph/strain/rate command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_ulsph_stress.html"
>
compute smd/ulsph/stress command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_smd_vol.html"
>
compute smd/vol command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_sna_atom.html"
>
compute sna/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_sna_atom.html#compute-snad-atom-command"
>
compute snad/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_sna_atom.html#compute-snav-atom-command"
>
compute snav/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_stress_atom.html"
>
compute stress/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_tally.html"
>
compute force/tally command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_tally.html#compute-heat-flux-tally-command"
>
compute heat/flux/tally command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_tally.html#compute-pe-tally-command"
>
compute pe/tally command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_tally.html#compute-pe-mol-tally-command"
>
compute pe/mol/tally command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_tally.html#compute-stress-tally-command"
>
compute stress/tally command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp.html"
>
compute temp command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp.html#compute-temp-kk-command"
>
compute temp/kk command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_asphere.html"
>
compute temp/asphere command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_body.html"
>
compute temp/body command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_chunk.html"
>
compute temp/chunk command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_com.html"
>
compute temp/com command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_cs.html"
>
compute temp/cs command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_deform.html"
>
compute temp/deform command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_deform_eff.html"
>
compute temp/deform/eff command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_drude.html"
>
compute temp/drude command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_eff.html"
>
compute temp/eff command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_partial.html"
>
compute temp/partial command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_profile.html"
>
compute temp/profile command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_ramp.html"
>
compute temp/ramp command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_region.html"
>
compute temp/region command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_region_eff.html"
>
compute temp/region/eff command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_rotate.html"
>
compute temp/rotate command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_temp_sphere.html"
>
compute temp/sphere command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_ti.html"
>
compute ti command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_torque_chunk.html"
>
compute torque/chunk command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_vacf.html"
>
compute vacf command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_vcm_chunk.html"
>
compute vcm/chunk command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_voronoi_atom.html"
>
compute voronoi/atom command
</a></li>
<li
class=
"toctree-l2"
><a
class=
"reference internal"
href=
"compute_xrd.html"
>
compute xrd command
</a></li>
</ul>
</li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"pairs.html"
>
Pair Styles
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"bonds.html"
>
Bond Styles
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"angles.html"
>
Angle Styles
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"dihedrals.html"
>
Dihedral Styles
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"impropers.html"
>
Improper Styles
</a></li>
</ul>
</div>
</nav>
<section
data-toggle=
"wy-nav-shift"
class=
"wy-nav-content-wrap"
>
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"wy-nav-top"
role=
"navigation"
aria-label=
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data-toggle=
"wy-nav-top"
class=
"fa fa-bars"
></i>
<a
href=
"Manual.html"
>
LAMMPS
</a>
</nav>
<div
class=
"wy-nav-content"
>
<div
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"rst-content"
>
<div
role=
"navigation"
aria-label=
"breadcrumbs navigation"
>
<ul
class=
"wy-breadcrumbs"
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<li><a
href=
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Docs
</a>
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</li>
<li>
Computes
</li>
<li
class=
"wy-breadcrumbs-aside"
>
<a
href=
"http://lammps.sandia.gov"
>
Website
</a>
<a
href=
"Section_commands.html#comm"
>
Commands
</a>
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<div
class=
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style=
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role=
"navigation"
aria-label=
"footer navigation"
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<a
href=
"compute_ackland_atom.html"
class=
"btn btn-neutral float-right"
title=
"compute ackland/atom command"
accesskey=
"n"
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Next
<span
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title=
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Previous
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<div
role=
"main"
class=
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itemscope=
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itemtype=
"http://schema.org/Article"
>
<div
itemprop=
"articleBody"
>
<div
class=
"section"
id=
"computes"
>
<h1>
Computes
</h1>
<div
class=
"toctree-wrapper compound"
>
<ul>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_ackland_atom.html"
>
compute ackland/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_angle.html"
>
compute angle command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_angle_local.html"
>
compute angle/local command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_angmom_chunk.html"
>
compute angmom/chunk command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_basal_atom.html"
>
compute basal/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_body_local.html"
>
compute body/local command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_bond.html"
>
compute bond command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_bond_local.html"
>
compute bond/local command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_centro_atom.html"
>
compute centro/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_chunk_atom.html"
>
compute chunk/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_cluster_atom.html"
>
compute cluster/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_cna_atom.html"
>
compute cna/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_com.html"
>
compute com command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_com_chunk.html"
>
compute com/chunk command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_contact_atom.html"
>
compute contact/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_coord_atom.html"
>
compute coord/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_damage_atom.html"
>
compute damage/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_dihedral.html"
>
compute dihedral command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_dihedral_local.html"
>
compute dihedral/local command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_dilatation_atom.html"
>
compute dilatation/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_dipole_chunk.html"
>
compute dipole/chunk command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_displace_atom.html"
>
compute displace/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_dpd.html"
>
compute dpd command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_dpd_atom.html"
>
compute dpd/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_erotate_asphere.html"
>
compute erotate/asphere command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_erotate_rigid.html"
>
compute erotate/rigid command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_erotate_sphere.html"
>
compute erotate/sphere command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_erotate_sphere_atom.html"
>
compute erotate/sphere/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_event_displace.html"
>
compute event/displace command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_fep.html"
>
compute fep command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_group_group.html"
>
compute group/group command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_gyration.html"
>
compute gyration command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_gyration_chunk.html"
>
compute gyration/chunk command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_heat_flux.html"
>
compute heat/flux command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_hexorder_atom.html"
>
compute hexorder/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_improper.html"
>
compute improper command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_improper_local.html"
>
compute improper/local command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_inertia_chunk.html"
>
compute inertia/chunk command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_ke.html"
>
compute ke command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_ke_atom.html"
>
compute ke/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_ke_atom_eff.html"
>
compute ke/atom/eff command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_ke_eff.html"
>
compute ke/eff command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_ke_rigid.html"
>
compute ke/rigid command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_meso_e_atom.html"
>
compute meso/e/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_meso_rho_atom.html"
>
compute meso/rho/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_meso_t_atom.html"
>
compute meso/t/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_msd.html"
>
compute msd command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_msd_chunk.html"
>
compute msd/chunk command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_msd_nongauss.html"
>
compute msd/nongauss command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_omega_chunk.html"
>
compute omega/chunk command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_orientorder_atom.html"
>
compute orientorder/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_pair.html"
>
compute pair command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_pair_local.html"
>
compute pair/local command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_pe.html"
>
compute pe command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_pe_atom.html"
>
compute pe/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_plasticity_atom.html"
>
compute plasticity/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_pressure.html"
>
compute pressure command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_property_atom.html"
>
compute property/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_property_chunk.html"
>
compute property/chunk command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_property_local.html"
>
compute property/local command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_rdf.html"
>
compute rdf command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_reduce.html"
>
compute reduce command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_reduce.html#compute-reduce-region-command"
>
compute reduce/region command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_rigid_local.html"
>
compute rigid/local command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_saed.html"
>
compute saed command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_slice.html"
>
compute slice command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_contact_radius.html"
>
compute smd/contact/radius command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_damage.html"
>
compute smd/damage command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_hourglass_error.html"
>
compute smd/hourglass/error command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_internal_energy.html"
>
compute smd/internal/energy command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_plastic_strain.html"
>
compute smd/plastic/strain command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_plastic_strain_rate.html"
>
compute smd/plastic/strain/rate command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_rho.html"
>
compute smd/rho command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_defgrad.html"
>
compute smd/tlsph/defgrad command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_dt.html"
>
compute smd/tlsph/dt command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_num_neighs.html"
>
compute smd/tlsph/num/neighs command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_shape.html"
>
compute smd/tlsph/shape command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_strain.html"
>
compute smd/tlsph/strain command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_strain_rate.html"
>
compute smd/tlsph/strain/rate command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_tlsph_stress.html"
>
compute smd/tlsph/stress command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_triangle_mesh_vertices.html"
>
compute smd/triangle/mesh/vertices
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_ulsph_num_neighs.html"
>
compute smd/ulsph/num/neighs command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_ulsph_strain.html"
>
compute smd/ulsph/strain command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_ulsph_strain_rate.html"
>
compute smd/ulsph/strain/rate command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_ulsph_stress.html"
>
compute smd/ulsph/stress command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_smd_vol.html"
>
compute smd/vol command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_sna_atom.html"
>
compute sna/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_sna_atom.html#compute-snad-atom-command"
>
compute snad/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_sna_atom.html#compute-snav-atom-command"
>
compute snav/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_stress_atom.html"
>
compute stress/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_tally.html"
>
compute force/tally command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_tally.html#compute-heat-flux-tally-command"
>
compute heat/flux/tally command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_tally.html#compute-pe-tally-command"
>
compute pe/tally command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_tally.html#compute-pe-mol-tally-command"
>
compute pe/mol/tally command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_tally.html#compute-stress-tally-command"
>
compute stress/tally command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp.html"
>
compute temp command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp.html#compute-temp-kk-command"
>
compute temp/kk command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_asphere.html"
>
compute temp/asphere command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_body.html"
>
compute temp/body command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_chunk.html"
>
compute temp/chunk command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_com.html"
>
compute temp/com command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_cs.html"
>
compute temp/cs command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_deform.html"
>
compute temp/deform command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_deform_eff.html"
>
compute temp/deform/eff command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_drude.html"
>
compute temp/drude command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_eff.html"
>
compute temp/eff command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_partial.html"
>
compute temp/partial command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_profile.html"
>
compute temp/profile command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_ramp.html"
>
compute temp/ramp command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_region.html"
>
compute temp/region command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_region_eff.html"
>
compute temp/region/eff command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_rotate.html"
>
compute temp/rotate command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_temp_sphere.html"
>
compute temp/sphere command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_ti.html"
>
compute ti command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_torque_chunk.html"
>
compute torque/chunk command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_vacf.html"
>
compute vacf command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_vcm_chunk.html"
>
compute vcm/chunk command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_voronoi_atom.html"
>
compute voronoi/atom command
</a></li>
<li
class=
"toctree-l1"
><a
class=
"reference internal"
href=
"compute_xrd.html"
>
compute xrd command
</a></li>
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