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<li>pair_style command</li>
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<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
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<div class="section" id="pair-style-command">
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<span id="index-0"></span><h1>pair_style command</h1>
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<div class="section" id="syntax">
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<h2>Syntax</h2>
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<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">pair_style</span> <span class="n">style</span> <span class="n">args</span>
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</pre></div>
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</div>
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<ul class="simple">
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<li>style = one of the styles from the list below</li>
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<li>args = arguments used by a particular style</li>
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</ul>
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</div>
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<div class="section" id="examples">
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<h2>Examples</h2>
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<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">pair_style</span> <span class="n">lj</span><span class="o">/</span><span class="n">cut</span> <span class="mf">2.5</span>
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<span class="n">pair_style</span> <span class="n">eam</span><span class="o">/</span><span class="n">alloy</span>
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<span class="n">pair_style</span> <span class="n">hybrid</span> <span class="n">lj</span><span class="o">/</span><span class="n">charmm</span><span class="o">/</span><span class="n">coul</span><span class="o">/</span><span class="n">long</span> <span class="mf">10.0</span> <span class="n">eam</span>
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<span class="n">pair_style</span> <span class="n">table</span> <span class="n">linear</span> <span class="mi">1000</span>
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<span class="n">pair_style</span> <span class="n">none</span>
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</pre></div>
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</div>
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</div>
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<div class="section" id="description">
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<h2>Description</h2>
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<p>Set the formula(s) LAMMPS uses to compute pairwise interactions. In
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LAMMPS, pair potentials are defined between pairs of atoms that are
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within a cutoff distance and the set of active interactions typically
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changes over time. See the <a class="reference internal" href="bond_style.html"><span class="doc">bond_style</span></a> command to
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define potentials between pairs of bonded atoms, which typically
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remain in place for the duration of a simulation.</p>
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<p>In LAMMPS, pairwise force fields encompass a variety of interactions,
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some of which include many-body effects, e.g. EAM, Stillinger-Weber,
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Tersoff, REBO potentials. They are still classified as “pairwise”
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potentials because the set of interacting atoms changes with time
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(unlike molecular bonds) and thus a neighbor list is used to find
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nearby interacting atoms.</p>
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<p>Hybrid models where specified pairs of atom types interact via
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different pair potentials can be setup using the <em>hybrid</em> pair style.</p>
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<p>The coefficients associated with a pair style are typically set for
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each pair of atom types, and are specified by the
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<a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a> command or read from a file by the
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<a class="reference internal" href="read_data.html"><span class="doc">read_data</span></a> or <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a>
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commands.</p>
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<p>The <a class="reference internal" href="pair_modify.html"><span class="doc">pair_modify</span></a> command sets options for mixing of
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type I-J interaction coefficients and adding energy offsets or tail
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corrections to Lennard-Jones potentials. Details on these options as
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they pertain to individual potentials are described on the doc page
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for the potential. Likewise, info on whether the potential
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information is stored in a <a class="reference internal" href="write_restart.html"><span class="doc">restart file</span></a> is listed
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on the potential doc page.</p>
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<p>In the formulas listed for each pair style, <em>E</em> is the energy of a
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pairwise interaction between two atoms separated by a distance <em>r</em>.
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The force between the atoms is the negative derivative of this
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expression.</p>
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<p>If the pair_style command has a cutoff argument, it sets global
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cutoffs for all pairs of atom types. The distance(s) can be smaller
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or larger than the dimensions of the simulation box.</p>
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<p>Typically, the global cutoff value can be overridden for a specific
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pair of atom types by the <a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a> command. The
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pair style settings (including global cutoffs) can be changed by a
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subsequent pair_style command using the same style. This will reset
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the cutoffs for all atom type pairs, including those previously set
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explicitly by a <a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a> command. The exceptions
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to this are that pair_style <em>table</em> and <em>hybrid</em> settings cannot be
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reset. A new pair_style command for these styles will wipe out all
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previously specified pair_coeff values.</p>
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<hr class="docutils" />
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<p>Here is an alphabetic list of pair styles defined in LAMMPS. They are
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also given in more compact form in the pair section of <a class="reference internal" href="Section_commands.html#cmd-5"><span class="std std-ref">this page</span></a>.</p>
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<p>Click on the style to display the formula it computes, arguments
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specified in the pair_style command, and coefficients specified by the
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associated <a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a> command.</p>
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<p>There are also additional pair styles (not listed here) submitted by
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users which are included in the LAMMPS distribution. The list of
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these with links to the individual styles are given in the pair
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section of <a class="reference internal" href="Section_commands.html#cmd-5"><span class="std std-ref">this page</span></a>.</p>
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<p>There are also additional accelerated pair styles (not listed here)
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included in the LAMMPS distribution for faster performance on CPUs and
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GPUs. The list of these with links to the individual styles are given
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in the pair section of <a class="reference internal" href="Section_commands.html#cmd-5"><span class="std std-ref">this page</span></a>.</p>
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<ul class="simple">
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<li><a class="reference internal" href="pair_none.html"><span class="doc">pair_style none</span></a> - turn off pairwise interactions</li>
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<li><a class="reference internal" href="pair_hybrid.html"><span class="doc">pair_style hybrid</span></a> - multiple styles of pairwise interactions</li>
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<li><a class="reference internal" href="pair_hybrid.html"><span class="doc">pair_style hybrid/overlay</span></a> - multiple styles of superposed pairwise interactions</li>
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<li><a class="reference internal" href="pair_zero.html"><span class="doc">pair_style zero</span></a> - neighbor list but no interactions</li>
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<li><a class="reference internal" href="pair_adp.html"><span class="doc">pair_style adp</span></a> - angular dependent potential (ADP) of Mishin</li>
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<li><a class="reference internal" href="pair_airebo.html"><span class="doc">pair_style airebo</span></a> - AIREBO potential of Stuart</li>
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<li><a class="reference internal" href="pair_airebo.html"><span class="doc">pair_style airebo/morse</span></a> - AIREBO with Morse instead of LJ</li>
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<li><a class="reference internal" href="pair_beck.html"><span class="doc">pair_style beck</span></a> - Beck potential</li>
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<li><a class="reference internal" href="pair_body.html"><span class="doc">pair_style body</span></a> - interactions between body particles</li>
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<li><a class="reference internal" href="pair_bop.html"><span class="doc">pair_style bop</span></a> - BOP potential of Pettifor</li>
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<li><a class="reference internal" href="pair_born.html"><span class="doc">pair_style born</span></a> - Born-Mayer-Huggins potential</li>
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<li><a class="reference internal" href="pair_born.html"><span class="doc">pair_style born/coul/long</span></a> - Born-Mayer-Huggins with long-range Coulombics</li>
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<li><a class="reference internal" href="pair_born.html"><span class="doc">pair_style born/coul/long/cs</span></a> - Born-Mayer-Huggins with long-range Coulombics and core/shell</li>
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<li><a class="reference internal" href="pair_born.html"><span class="doc">pair_style born/coul/msm</span></a> - Born-Mayer-Huggins with long-range MSM Coulombics</li>
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<li><a class="reference internal" href="pair_born.html"><span class="doc">pair_style born/coul/wolf</span></a> - Born-Mayer-Huggins with Coulombics via Wolf potential</li>
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<li><a class="reference internal" href="pair_brownian.html"><span class="doc">pair_style brownian</span></a> - Brownian potential for Fast Lubrication Dynamics</li>
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<li><a class="reference internal" href="pair_brownian.html"><span class="doc">pair_style brownian/poly</span></a> - Brownian potential for Fast Lubrication Dynamics with polydispersity</li>
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<li><a class="reference internal" href="pair_buck.html"><span class="doc">pair_style buck</span></a> - Buckingham potential</li>
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<li><a class="reference internal" href="pair_buck.html"><span class="doc">pair_style buck/coul/cut</span></a> - Buckingham with cutoff Coulomb</li>
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<li><a class="reference internal" href="pair_buck.html"><span class="doc">pair_style buck/coul/long</span></a> - Buckingham with long-range Coulombics</li>
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<li><a class="reference internal" href="pair_buck.html"><span class="doc">pair_style buck/coul/long/cs</span></a> - Buckingham with long-range Coulombics and core/shell</li>
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<li><a class="reference internal" href="pair_buck.html"><span class="doc">pair_style buck/coul/msm</span></a> - Buckingham long-range MSM Coulombics</li>
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<li><a class="reference internal" href="pair_buck_long.html"><span class="doc">pair_style buck/long/coul/long</span></a> - long-range Buckingham with long-range Coulombics</li>
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<li><a class="reference internal" href="pair_colloid.html"><span class="doc">pair_style colloid</span></a> - integrated colloidal potential</li>
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<li><a class="reference internal" href="pair_comb.html"><span class="doc">pair_style comb</span></a> - charge-optimized many-body (COMB) potential</li>
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<li><a class="reference internal" href="pair_comb.html"><span class="doc">pair_style comb3</span></a> - charge-optimized many-body (COMB3) potential</li>
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<li><a class="reference internal" href="pair_coul.html"><span class="doc">pair_style coul/cut</span></a> - cutoff Coulombic potential</li>
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<li><a class="reference internal" href="pair_coul.html"><span class="doc">pair_style coul/debye</span></a> - cutoff Coulombic potential with Debye screening</li>
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<li><a class="reference internal" href="pair_coul.html"><span class="doc">pair_style coul/dsf</span></a> - Coulombics via damped shifted forces</li>
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<li><a class="reference internal" href="pair_coul.html"><span class="doc">pair_style coul/long</span></a> - long-range Coulombic potential</li>
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<li><a class="reference internal" href="pair_coul.html"><span class="doc">pair_style coul/long/cs</span></a> - long-range Coulombic potential and core/shell</li>
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<li><a class="reference internal" href="pair_coul.html"><span class="doc">pair_style coul/msm</span></a> - long-range MSM Coulombics</li>
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<li><a class="reference internal" href="pair_coul.html"><span class="doc">pair_style coul/streitz</span></a> - Coulombics via Streitz/Mintmire Slater orbitals</li>
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<li><a class="reference internal" href="pair_coul.html"><span class="doc">pair_style coul/wolf</span></a> - Coulombics via Wolf potential</li>
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<li><a class="reference internal" href="pair_dpd.html"><span class="doc">pair_style dpd</span></a> - dissipative particle dynamics (DPD)</li>
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<li><a class="reference internal" href="pair_dpd.html"><span class="doc">pair_style dpd/tstat</span></a> - DPD thermostatting</li>
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<li><a class="reference internal" href="pair_dsmc.html"><span class="doc">pair_style dsmc</span></a> - Direct Simulation Monte Carlo (DSMC)</li>
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<li><a class="reference internal" href="pair_eam.html"><span class="doc">pair_style eam</span></a> - embedded atom method (EAM)</li>
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<li><a class="reference internal" href="pair_eam.html"><span class="doc">pair_style eam/alloy</span></a> - alloy EAM</li>
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<li><a class="reference internal" href="pair_eam.html"><span class="doc">pair_style eam/fs</span></a> - Finnis-Sinclair EAM</li>
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<li><a class="reference internal" href="pair_eim.html"><span class="doc">pair_style eim</span></a> - embedded ion method (EIM)</li>
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<li><a class="reference internal" href="pair_gauss.html"><span class="doc">pair_style gauss</span></a> - Gaussian potential</li>
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<li><a class="reference internal" href="pair_gayberne.html"><span class="doc">pair_style gayberne</span></a> - Gay-Berne ellipsoidal potential</li>
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<li><a class="reference internal" href="pair_gran.html"><span class="doc">pair_style gran/hertz/history</span></a> - granular potential with Hertzian interactions</li>
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<li><a class="reference internal" href="pair_gran.html"><span class="doc">pair_style gran/hooke</span></a> - granular potential with history effects</li>
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<li><a class="reference internal" href="pair_gran.html"><span class="doc">pair_style gran/hooke/history</span></a> - granular potential without history effects</li>
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<li><a class="reference internal" href="pair_hbond_dreiding.html"><span class="doc">pair_style hbond/dreiding/lj</span></a> - DREIDING hydrogen bonding LJ potential</li>
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<li><a class="reference internal" href="pair_hbond_dreiding.html"><span class="doc">pair_style hbond/dreiding/morse</span></a> - DREIDING hydrogen bonding Morse potential</li>
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<li><a class="reference internal" href="pair_kim.html"><span class="doc">pair_style kim</span></a> - interface to potentials provided by KIM project</li>
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<li><a class="reference internal" href="pair_lcbop.html"><span class="doc">pair_style lcbop</span></a> - long-range bond-order potential (LCBOP)</li>
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<li><a class="reference internal" href="pair_line_lj.html"><span class="doc">pair_style line/lj</span></a> - LJ potential between line segments</li>
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<li><a class="reference internal" href="pair_charmm.html"><span class="doc">pair_style lj/charmm/coul/charmm</span></a> - CHARMM potential with cutoff Coulomb</li>
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<li><a class="reference internal" href="pair_charmm.html"><span class="doc">pair_style lj/charmm/coul/charmm/implicit</span></a> - CHARMM for implicit solvent</li>
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<li><a class="reference internal" href="pair_charmm.html"><span class="doc">pair_style lj/charmm/coul/long</span></a> - CHARMM with long-range Coulomb</li>
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<li><a class="reference internal" href="pair_charmm.html"><span class="doc">pair_style lj/charmm/coul/msm</span></a> - CHARMM with long-range MSM Coulombics</li>
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<li><a class="reference internal" href="pair_class2.html"><span class="doc">pair_style lj/class2</span></a> - COMPASS (class 2) force field with no Coulomb</li>
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<li><a class="reference internal" href="pair_class2.html"><span class="doc">pair_style lj/class2/coul/cut</span></a> - COMPASS with cutoff Coulomb</li>
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<li><a class="reference internal" href="pair_class2.html"><span class="doc">pair_style lj/class2/coul/long</span></a> - COMPASS with long-range Coulomb</li>
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<li><a class="reference internal" href="pair_lj_cubic.html"><span class="doc">pair_style lj/cubic</span></a> - LJ with cubic after inflection point</li>
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<li><a class="reference internal" href="pair_lj.html"><span class="doc">pair_style lj/cut</span></a> - cutoff Lennard-Jones potential with no Coulomb</li>
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<li><a class="reference internal" href="pair_lj.html"><span class="doc">pair_style lj/cut/coul/cut</span></a> - LJ with cutoff Coulomb</li>
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<li><a class="reference internal" href="pair_lj.html"><span class="doc">pair_style lj/cut/coul/debye</span></a> - LJ with Debye screening added to Coulomb</li>
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<li><a class="reference internal" href="pair_lj.html"><span class="doc">pair_style lj/cut/coul/dsf</span></a> - LJ with Coulombics via damped shifted forces</li>
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<li><a class="reference internal" href="pair_lj.html"><span class="doc">pair_style lj/cut/coul/long</span></a> - LJ with long-range Coulombics</li>
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<li><a class="reference internal" href="pair_lj.html"><span class="doc">pair_style lj/cut/coul/long/cs</span></a> - LJ with long-range Coulombics and core/shell</li>
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<li><a class="reference internal" href="pair_lj.html"><span class="doc">pair_style lj/cut/coul/msm</span></a> - LJ with long-range MSM Coulombics</li>
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<li><a class="reference internal" href="pair_dipole.html"><span class="doc">pair_style lj/cut/dipole/cut</span></a> - point dipoles with cutoff</li>
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<li><a class="reference internal" href="pair_dipole.html"><span class="doc">pair_style lj/cut/dipole/long</span></a> - point dipoles with long-range Ewald</li>
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<li><a class="reference internal" href="pair_lj.html"><span class="doc">pair_style lj/cut/tip4p/cut</span></a> - LJ with cutoff Coulomb for TIP4P water</li>
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<li><a class="reference internal" href="pair_lj.html"><span class="doc">pair_style lj/cut/tip4p/long</span></a> - LJ with long-range Coulomb for TIP4P water</li>
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<li><a class="reference internal" href="pair_lj_expand.html"><span class="doc">pair_style lj/expand</span></a> - Lennard-Jones for variable size particles</li>
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<li><a class="reference internal" href="pair_gromacs.html"><span class="doc">pair_style lj/gromacs</span></a> - GROMACS-style Lennard-Jones potential</li>
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|
<li><a class="reference internal" href="pair_gromacs.html"><span class="doc">pair_style lj/gromacs/coul/gromacs</span></a> - GROMACS-style LJ and Coulombic potential</li>
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|
<li><a class="reference internal" href="pair_lj_long.html"><span class="doc">pair_style lj/long/coul/long</span></a> - long-range LJ and long-range Coulombics</li>
|
|
<li><a class="reference internal" href="pair_dipole.html"><span class="doc">pair_style lj/long/dipole/long</span></a> - long-range LJ and long-range point dipoles</li>
|
|
<li><a class="reference internal" href="pair_lj_long.html"><span class="doc">pair_style lj/long/tip4p/long</span></a> - long-range LJ and long-range Coulomb for TIP4P water</li>
|
|
<li><a class="reference internal" href="pair_lj_smooth.html"><span class="doc">pair_style lj/smooth</span></a> - smoothed Lennard-Jones potential</li>
|
|
<li><a class="reference internal" href="pair_lj_smooth_linear.html"><span class="doc">pair_style lj/smooth/linear</span></a> - linear smoothed Lennard-Jones potential</li>
|
|
<li><a class="reference internal" href="pair_lj96.html"><span class="doc">pair_style lj96/cut</span></a> - Lennard-Jones 9/6 potential</li>
|
|
<li><a class="reference internal" href="pair_lubricate.html"><span class="doc">pair_style lubricate</span></a> - hydrodynamic lubrication forces</li>
|
|
<li><a class="reference internal" href="pair_lubricate.html"><span class="doc">pair_style lubricate/poly</span></a> - hydrodynamic lubrication forces with polydispersity</li>
|
|
<li><a class="reference internal" href="pair_lubricateU.html"><span class="doc">pair_style lubricateU</span></a> - hydrodynamic lubrication forces for Fast Lubrication Dynamics</li>
|
|
<li><a class="reference internal" href="pair_lubricateU.html"><span class="doc">pair_style lubricateU/poly</span></a> - hydrodynamic lubrication forces for Fast Lubrication with polydispersity</li>
|
|
<li><a class="reference internal" href="pair_meam.html"><span class="doc">pair_style meam</span></a> - modified embedded atom method (MEAM)</li>
|
|
<li><a class="reference internal" href="pair_mie.html"><span class="doc">pair_style mie/cut</span></a> - Mie potential</li>
|
|
<li><a class="reference internal" href="pair_morse.html"><span class="doc">pair_style morse</span></a> - Morse potential</li>
|
|
<li><a class="reference internal" href="pair_nb3b_harmonic.html"><span class="doc">pair_style nb3b/harmonic</span></a> - nonbonded 3-body harmonic potential</li>
|
|
<li><a class="reference internal" href="pair_nm.html"><span class="doc">pair_style nm/cut</span></a> - N-M potential</li>
|
|
<li><a class="reference internal" href="pair_nm.html"><span class="doc">pair_style nm/cut/coul/cut</span></a> - N-M potential with cutoff Coulomb</li>
|
|
<li><a class="reference internal" href="pair_nm.html"><span class="doc">pair_style nm/cut/coul/long</span></a> - N-M potential with long-range Coulombics</li>
|
|
<li><a class="reference internal" href="pair_peri.html"><span class="doc">pair_style peri/eps</span></a> - peridynamic EPS potential</li>
|
|
<li><a class="reference internal" href="pair_peri.html"><span class="doc">pair_style peri/lps</span></a> - peridynamic LPS potential</li>
|
|
<li><a class="reference internal" href="pair_peri.html"><span class="doc">pair_style peri/pmb</span></a> - peridynamic PMB potential</li>
|
|
<li><a class="reference internal" href="pair_peri.html"><span class="doc">pair_style peri/ves</span></a> - peridynamic VES potential</li>
|
|
<li><a class="reference internal" href="pair_polymorphic.html"><span class="doc">pair_style polymorphic</span></a> - polymorphic 3-body potential</li>
|
|
<li><a class="reference internal" href="pair_reax.html"><span class="doc">pair_style reax</span></a> - ReaxFF potential</li>
|
|
<li><a class="reference internal" href="pair_airebo.html"><span class="doc">pair_style rebo</span></a> - 2nd generation REBO potential of Brenner</li>
|
|
<li><a class="reference internal" href="pair_resquared.html"><span class="doc">pair_style resquared</span></a> - Everaers RE-Squared ellipsoidal potential</li>
|
|
<li><a class="reference internal" href="pair_snap.html"><span class="doc">pair_style snap</span></a> - SNAP quantum-accurate potential</li>
|
|
<li><a class="reference internal" href="pair_soft.html"><span class="doc">pair_style soft</span></a> - Soft (cosine) potential</li>
|
|
<li><a class="reference internal" href="pair_sw.html"><span class="doc">pair_style sw</span></a> - Stillinger-Weber 3-body potential</li>
|
|
<li><a class="reference internal" href="pair_table.html"><span class="doc">pair_style table</span></a> - tabulated pair potential</li>
|
|
<li><a class="reference internal" href="pair_tersoff.html"><span class="doc">pair_style tersoff</span></a> - Tersoff 3-body potential</li>
|
|
<li><a class="reference internal" href="pair_tersoff_mod.html"><span class="doc">pair_style tersoff/mod</span></a> - modified Tersoff 3-body potential</li>
|
|
<li><a class="reference internal" href="pair_tersoff_zbl.html"><span class="doc">pair_style tersoff/zbl</span></a> - Tersoff/ZBL 3-body potential</li>
|
|
<li><a class="reference internal" href="pair_coul.html"><span class="doc">pair_style tip4p/cut</span></a> - Coulomb for TIP4P water w/out LJ</li>
|
|
<li><a class="reference internal" href="pair_coul.html"><span class="doc">pair_style tip4p/long</span></a> - long-range Coulombics for TIP4P water w/out LJ</li>
|
|
<li><a class="reference internal" href="pair_tri_lj.html"><span class="doc">pair_style tri/lj</span></a> - LJ potential between triangles</li>
|
|
<li><a class="reference internal" href="pair_vashishta.html"><span class="doc">pair_style vashishta</span></a> - Vashishta 2-body and 3-body potential</li>
|
|
<li><a class="reference internal" href="pair_yukawa.html"><span class="doc">pair_style yukawa</span></a> - Yukawa potential</li>
|
|
<li><a class="reference internal" href="pair_yukawa_colloid.html"><span class="doc">pair_style yukawa/colloid</span></a> - screened Yukawa potential for finite-size particles</li>
|
|
<li><a class="reference internal" href="pair_zbl.html"><span class="doc">pair_style zbl</span></a> - Ziegler-Biersack-Littmark potential</li>
|
|
</ul>
|
|
</div>
|
|
<hr class="docutils" />
|
|
<div class="section" id="restrictions">
|
|
<h2>Restrictions</h2>
|
|
<p>This command must be used before any coefficients are set by the
|
|
<a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a>, <a class="reference internal" href="read_data.html"><span class="doc">read_data</span></a>, or
|
|
<a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a> commands.</p>
|
|
<p>Some pair styles are part of specific packages. They are only enabled
|
|
if LAMMPS was built with that package. See the <a class="reference internal" href="Section_start.html#start-3"><span class="std std-ref">Making LAMMPS</span></a> section for more info on packages.
|
|
The doc pages for individual pair potentials tell if it is part of a
|
|
package.</p>
|
|
</div>
|
|
<div class="section" id="related-commands">
|
|
<h2>Related commands</h2>
|
|
<p><a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a>, <a class="reference internal" href="read_data.html"><span class="doc">read_data</span></a>,
|
|
<a class="reference internal" href="pair_modify.html"><span class="doc">pair_modify</span></a>, <a class="reference internal" href="kspace_style.html"><span class="doc">kspace_style</span></a>,
|
|
<a class="reference internal" href="dielectric.html"><span class="doc">dielectric</span></a>, <a class="reference internal" href="pair_write.html"><span class="doc">pair_write</span></a></p>
|
|
</div>
|
|
<div class="section" id="default">
|
|
<h2>Default</h2>
|
|
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">pair_style</span> <span class="n">none</span>
|
|
</pre></div>
|
|
</div>
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</div>
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