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<p class="caption"><span class="caption-text">User Documentation</span></p>
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<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance &amp; scalability</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying &amp; extending LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
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<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
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<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
<li class="toctree-l1 current"><a class="reference internal" href="computes.html">Computes</a><ul class="current">
<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 current"><a class="current reference internal" href="#">compute property/local command</a><ul>
<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
</ul>
</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>
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<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">Bonds</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>
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<div class="section" id="compute-property-local-command">
<span id="index-0"></span><h1>compute property/local command</h1>
<div class="section" id="syntax">
<h2>Syntax</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="nb">property</span><span class="o">/</span><span class="n">local</span> <span class="n">attribute1</span> <span class="n">attribute2</span> <span class="o">...</span> <span class="n">keyword</span> <span class="n">args</span> <span class="o">...</span>
</pre></div>
</div>
<ul>
<li><p class="first">ID, group-ID are documented in <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command</p>
</li>
<li><p class="first">property/local = style name of this compute command</p>
</li>
<li><p class="first">one or more attributes may be appended</p>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">possible</span> <span class="n">attributes</span> <span class="o">=</span> <span class="n">natom1</span> <span class="n">natom2</span> <span class="n">ntype1</span> <span class="n">ntype2</span>
<span class="n">patom1</span> <span class="n">patom2</span> <span class="n">ptype1</span> <span class="n">ptype2</span>
<span class="n">batom1</span> <span class="n">batom2</span> <span class="n">btype</span>
<span class="n">aatom1</span> <span class="n">aatom2</span> <span class="n">aatom3</span> <span class="n">atype</span>
<span class="n">datom1</span> <span class="n">datom2</span> <span class="n">datom3</span> <span class="n">dtype</span>
<span class="n">iatom1</span> <span class="n">iatom2</span> <span class="n">iatom3</span> <span class="n">itype</span>
</pre></div>
</div>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">natom1</span><span class="p">,</span> <span class="n">natom2</span> <span class="o">=</span> <span class="n">IDs</span> <span class="n">of</span> <span class="mi">2</span> <span class="n">atoms</span> <span class="ow">in</span> <span class="n">each</span> <span class="n">pair</span> <span class="p">(</span><span class="n">within</span> <span class="n">neighbor</span> <span class="n">cutoff</span><span class="p">)</span>
<span class="n">ntype1</span><span class="p">,</span> <span class="n">ntype2</span> <span class="o">=</span> <span class="nb">type</span> <span class="n">of</span> <span class="mi">2</span> <span class="n">atoms</span> <span class="ow">in</span> <span class="n">each</span> <span class="n">pair</span> <span class="p">(</span><span class="n">within</span> <span class="n">neighbor</span> <span class="n">cutoff</span><span class="p">)</span>
<span class="n">patom1</span><span class="p">,</span> <span class="n">patom2</span> <span class="o">=</span> <span class="n">IDs</span> <span class="n">of</span> <span class="mi">2</span> <span class="n">atoms</span> <span class="ow">in</span> <span class="n">each</span> <span class="n">pair</span> <span class="p">(</span><span class="n">within</span> <span class="n">force</span> <span class="n">cutoff</span><span class="p">)</span>
<span class="n">ptype1</span><span class="p">,</span> <span class="n">ptype2</span> <span class="o">=</span> <span class="nb">type</span> <span class="n">of</span> <span class="mi">2</span> <span class="n">atoms</span> <span class="ow">in</span> <span class="n">each</span> <span class="n">pair</span> <span class="p">(</span><span class="n">within</span> <span class="n">force</span> <span class="n">cutoff</span><span class="p">)</span>
<span class="n">batom1</span><span class="p">,</span> <span class="n">batom2</span> <span class="o">=</span> <span class="n">IDs</span> <span class="n">of</span> <span class="mi">2</span> <span class="n">atoms</span> <span class="ow">in</span> <span class="n">each</span> <span class="n">bond</span>
<span class="n">btype</span> <span class="o">=</span> <span class="n">bond</span> <span class="nb">type</span> <span class="n">of</span> <span class="n">each</span> <span class="n">bond</span>
<span class="n">aatom1</span><span class="p">,</span> <span class="n">aatom2</span><span class="p">,</span> <span class="n">aatom3</span> <span class="o">=</span> <span class="n">IDs</span> <span class="n">of</span> <span class="mi">3</span> <span class="n">atoms</span> <span class="ow">in</span> <span class="n">each</span> <span class="n">angle</span>
<span class="n">atype</span> <span class="o">=</span> <span class="n">angle</span> <span class="nb">type</span> <span class="n">of</span> <span class="n">each</span> <span class="n">angle</span>
<span class="n">datom1</span><span class="p">,</span> <span class="n">datom2</span><span class="p">,</span> <span class="n">datom3</span><span class="p">,</span> <span class="n">datom4</span> <span class="o">=</span> <span class="n">IDs</span> <span class="n">of</span> <span class="mi">4</span> <span class="n">atoms</span> <span class="ow">in</span> <span class="n">each</span> <span class="n">dihedral</span>
<span class="n">dtype</span> <span class="o">=</span> <span class="n">dihedral</span> <span class="nb">type</span> <span class="n">of</span> <span class="n">each</span> <span class="n">dihedral</span>
<span class="n">iatom1</span><span class="p">,</span> <span class="n">iatom2</span><span class="p">,</span> <span class="n">iatom3</span><span class="p">,</span> <span class="n">iatom4</span> <span class="o">=</span> <span class="n">IDs</span> <span class="n">of</span> <span class="mi">4</span> <span class="n">atoms</span> <span class="ow">in</span> <span class="n">each</span> <span class="n">improper</span>
<span class="n">itype</span> <span class="o">=</span> <span class="n">improper</span> <span class="nb">type</span> <span class="n">of</span> <span class="n">each</span> <span class="n">improper</span>
</pre></div>
</div>
</li>
<li><p class="first">zero or more keyword/arg pairs may be appended</p>
</li>
<li><p class="first">keyword = <em>cutoff</em></p>
<pre class="literal-block">
<em>cutoff</em> arg = <em>type</em> or <em>radius</em>
</pre>
</li>
</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">compute</span> <span class="mi">1</span> <span class="nb">all</span> <span class="nb">property</span><span class="o">/</span><span class="n">local</span> <span class="n">btype</span> <span class="n">batom1</span> <span class="n">batom2</span>
<span class="n">compute</span> <span class="mi">1</span> <span class="nb">all</span> <span class="nb">property</span><span class="o">/</span><span class="n">local</span> <span class="n">atype</span> <span class="n">aatom2</span>
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description</h2>
<p>Define a computation that stores the specified attributes as local
data so it can be accessed by other <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">output commands</span></a>. If the input attributes refer
to bond information, then the number of datums generated, aggregated
across all processors, equals the number of bonds in the system.
Ditto for pairs, angles, etc.</p>
<p>If multiple attributes are specified then they must all generate the
same amount of information, so that the resulting local array has the
same number of rows for each column. This means that only bond
attributes can be specified together, or angle attributes, etc. Bond
and angle attributes can not be mixed in the same compute
property/local command.</p>
<p>If the inputs are pair attributes, the local data is generated by
looping over the pairwise neighbor list. Info about an individual
pairwise interaction will only be included if both atoms in the pair
are in the specified compute group. For <em>natom1</em> and <em>natom2</em>, all
atom pairs in the neighbor list are considered (out to the neighbor
cutoff = force cutoff + <a class="reference internal" href="neighbor.html"><span class="doc">neighbor skin</span></a>). For <em>patom1</em>
and <em>patom2</em>, the distance between the atoms must be less than the
force cutoff distance for that pair to be included, as defined by the
<a class="reference internal" href="pair_style.html"><span class="doc">pair_style</span></a> and <a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a>
commands.</p>
<p>The optional <em>cutoff</em> keyword determines how the force cutoff distance
for an interaction is determined for the <em>patom1</em> and <em>patom2</em>
attributes. For the default setting of <em>type</em>, the pairwise cutoff
defined by the <a class="reference internal" href="pair_style.html"><span class="doc">pair_style</span></a> command for the types of
the two atoms is used. For the <em>radius</em> setting, the sum of the radii
of the two particles is used as a cutoff. For example, this is
appropriate for granular particles which only interact when they are
overlapping, as computed by <a class="reference external" href="pair_gran.txt">granular pair styles</a>.</p>
<p>If the inputs are bond, angle, etc attributes, the local data is
generated by looping over all the atoms owned on a processor and
extracting bond, angle, etc info. For bonds, info about an individual
bond will only be included if both atoms in the bond are in the
specified compute group. Likewise for angles, dihedrals, etc.</p>
<p>For bonds and angles, a bonds/angles that have been broken by setting
their bond/angle type to 0 will not be included. Bonds/angles that
have been turned off (see the <a class="reference internal" href="fix_shake.html"><span class="doc">fix shake</span></a> or
<a class="reference internal" href="delete_bonds.html"><span class="doc">delete_bonds</span></a> commands) by setting their bond/angle
type negative are written into the file. This is consistent with the
<a class="reference internal" href="compute_bond_local.html"><span class="doc">compute bond/local</span></a> and <a class="reference internal" href="compute_angle_local.html"><span class="doc">compute angle/local</span></a> commands</p>
<p>Note that as atoms migrate from processor to processor, there will be
no consistent ordering of the entries within the local vector or array
from one timestep to the next. The only consistency that is
guaranteed is that the ordering on a particular timestep will be the
same for local vectors or arrays generated by other compute commands.
For example, output from the <a class="reference internal" href="compute_bond_local.html"><span class="doc">compute bond/local</span></a> command can be combined with bond
atom indices from this command and output by the <a class="reference internal" href="dump.html"><span class="doc">dump local</span></a> command in a consistent way.</p>
<p>The <em>natom1</em> and <em>natom2</em>, or <em>patom1</em> and <em>patom2</em> attributes refer
to the atom IDs of the 2 atoms in each pairwise interaction computed
by the <a class="reference internal" href="pair_style.html"><span class="doc">pair_style</span></a> command. The <em>ntype1</em> and
<em>ntype2</em>, or <em>ptype1</em> and <em>ptype2</em> attributes refer to the atom types
of the 2 atoms in each pairwise interaction.</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">For pairs, if two atoms I,J are involved in 1-2, 1-3, 1-4
interactions within the molecular topology, their pairwise interaction
may be turned off, and thus they may not appear in the neighbor list,
and will not be part of the local data created by this command. More
specifically, this may be true of I,J pairs with a weighting factor of
0.0; pairs with a non-zero weighting factor are included. The
weighting factors for 1-2, 1-3, and 1-4 pairwise interactions are set
by the <a class="reference internal" href="special_bonds.html"><span class="doc">special_bonds</span></a> command.</p>
</div>
<p>The <em>batom1</em> and <em>batom2</em> attributes refer to the atom IDs of the 2
atoms in each <a class="reference internal" href="bond_style.html"><span class="doc">bond</span></a>. The <em>btype</em> attribute refers to
the type of the bond, from 1 to Nbtypes = # of bond types. The number
of bond types is defined in the data file read by the
<a class="reference internal" href="read_data.html"><span class="doc">read_data</span></a> command.</p>
<p>The attributes that start with &#8220;a&#8221;, &#8220;d&#8221;, &#8220;i&#8221;, refer to similar values
for <a class="reference internal" href="angle_style.html"><span class="doc">angles</span></a>, <a class="reference internal" href="dihedral_style.html"><span class="doc">dihedrals</span></a>, and
<a class="reference internal" href="improper_style.html"><span class="doc">impropers</span></a>.</p>
<p>The optional <em>cutoff</em> keyword</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a local vector or local array depending on the
number of input values. The length of the vector or number of rows in
the array is the number of bonds, angles, etc. If a single input is
specified, a local vector is produced. If two or more inputs are
specified, a local array is produced where the number of columns = the
number of inputs. The vector or array can be accessed by any command
that uses local values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">this section</span></a> for an overview of LAMMPS output
options.</p>
<p>The vector or array values will be integers that correspond to the
specified attribute.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions</h2>
<blockquote>
<div>none</div></blockquote>
</div>
<div class="section" id="related-commands">
<h2>Related commands</h2>
<p><a class="reference internal" href="dump.html"><span class="doc">dump local</span></a>, <a class="reference internal" href="compute_reduce.html"><span class="doc">compute reduce</span></a></p>
</div>
<div class="section" id="default">
<h2>Default</h2>
<p>The keyword default is cutoff = type.</p>
</div>
</div>
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