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<div class="lammps_version">Version: <b>19 Nov 2024</b></div>
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<li class="toctree-l1"><a class="reference internal" href="Python_head.html">2. Use Python with LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Modify.html">3. Modifying & extending LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Developer.html">4. Information for Developers</a></li>
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<p class="caption" role="heading"><span class="caption-text">Command Reference</span></p>
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<ul class="current">
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<li class="toctree-l1"><a class="reference internal" href="commands_list.html">Commands</a></li>
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<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fix Styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="computes.html">Compute Styles</a></li>
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<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
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<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_agni.html">pair_style agni command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_aip_water_2dm.html">pair_style aip/water/2dm command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_amoeba.html">pair_style amoeba command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_amoeba.html#pair-style-hippo-command">pair_style hippo command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_atm.html">pair_style atm command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_body_nparticle.html">pair_style body/nparticle command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_body_rounded_polygon.html">pair_style body/rounded/polygon command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_body_rounded_polyhedron.html">pair_style body/rounded/polyhedron command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-command">pair_style born/coul/long command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-msm-command">pair_style born/coul/msm command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-command">pair_style born/coul/wolf command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-dsf-command">pair_style born/coul/dsf command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_born_gauss.html">pair_style born/gauss command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_bpm_spring.html">pair_style bpm/spring command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-command">pair_style buck/coul/cut command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-command">pair_style buck/coul/long command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-msm-command">pair_style buck/coul/msm command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck6d_coul_gauss.html">pair_style buck6d/coul/gauss/dsf command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck6d_coul_gauss.html#pair-style-buck6d-coul-gauss-long-command">pair_style buck6d/coul/gauss/long command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html">pair_style lj/charmm/coul/charmm command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmmfsw-coul-charmmfsh-command">pair_style lj/charmmfsw/coul/charmmfsh command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_charmm.html#pair-style-lj-charmmfsw-coul-long-command">pair_style lj/charmmfsw/coul/long command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_class2.html">pair_style lj/class2 command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-cut-command">pair_style lj/class2/coul/cut command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-coul-long-command">pair_style lj/class2/coul/long command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_cosine_squared.html">pair_style cosine/squared command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-global-command">pair_style coul/cut/global command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-ctip-command">pair_style coul/ctip command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-exclude-command">pair_style coul/exclude command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-command">pair_style coul/long command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul_shield.html">pair_style coul/shield command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul_slater.html">pair_style coul/slater command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_coul_slater.html#pair-style-coul-slater-cut-command">pair_style coul/slater/cut command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_coul_slater.html#pair-style-coul-slater-long-command">pair_style coul/slater/long command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_coul_tt.html">pair_style coul/tt command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/dsf/cs command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-born-coul-long-cs-command">pair_style born/coul/long/cs command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-born-coul-wolf-cs-command">pair_style born/coul/wolf/cs command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-buck-coul-long-cs-command">pair_style buck/coul/long/cs command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-coul-long-cs-command">pair_style coul/long/cs command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-coul-wolf-cs-command">pair_style coul/wolf/cs command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-lj-cut-coul-long-cs-command">pair_style lj/cut/coul/long/cs command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_cs.html#pair-style-lj-class2-coul-long-cs-command">pair_style lj/class2/coul/long/cs command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_dielectric.html">pair_style coul/cut/dielectric command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dielectric.html#pair-style-coul-long-dielectric-command">pair_style coul/long/dielectric command</a></li>
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||
<li class="toctree-l2"><a class="reference internal" href="pair_dielectric.html#pair-style-lj-cut-coul-cut-dielectric-command">pair_style lj/cut/coul/cut/dielectric command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dielectric.html#pair-style-lj-cut-coul-debye-dielectric-command">pair_style lj/cut/coul/debye/dielectric command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dielectric.html#pair-style-lj-cut-coul-long-dielectric-command">pair_style lj/cut/coul/long/dielectric command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dielectric.html#pair-style-lj-cut-coul-msm-dielectric-command">pair_style lj/cut/coul/msm/dielectric command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dielectric.html#pair-style-lj-long-coul-long-dielectric-command">pair_style lj/long/coul/long/dielectric command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-command">pair_style lj/sf/dipole/sf command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-long-command">pair_style lj/cut/dipole/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-long-dipole-long-command">pair_style lj/long/dipole/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dpd_coul_slater_long.html">pair_style dpd/coul/slater/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dpd_ext.html">pair_style dpd/ext command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dpd_ext.html#pair-style-dpd-ext-tstat-command">pair_style dpd/ext/tstat command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html#pair-style-dpd-fdt-energy-command">pair_style dpd/fdt/energy command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_drip.html">pair_style drip command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_e3b.html">pair_style e3b command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-command">pair_style eam/cd command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-old-command">pair_style eam/cd/old command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-command">pair_style eam/fs command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-he-command">pair_style eam/he command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_edip.html#pair-style-edip-multi-command">pair_style edip/multi command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_exp6_rx.html">pair_style exp6/rx command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_extep.html">pair_style extep command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_fep_soft.html">pair_style lj/cut/soft command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_fep_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_fep_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_fep_soft.html#pair-style-lj-cut-tip4p-long-soft-command">pair_style lj/cut/tip4p/long/soft command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_fep_soft.html#pair-style-lj-charmm-coul-long-soft-command">pair_style lj/charmm/coul/long/soft command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_fep_soft.html#pair-style-lj-class2-soft-command">pair_style lj/class2/soft command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_fep_soft.html#pair-style-lj-class2-coul-cut-soft-command">pair_style lj/class2/coul/cut/soft command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_fep_soft.html#pair-style-lj-class2-coul-long-soft-command">pair_style lj/class2/coul/long/soft command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_fep_soft.html#pair-style-coul-cut-soft-command">pair_style coul/cut/soft command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_fep_soft.html#pair-style-coul-long-soft-command">pair_style coul/long/soft command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_fep_soft.html#pair-style-tip4p-long-soft-command">pair_style tip4p/long/soft command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_fep_soft.html#pair-style-morse-soft-command">pair_style morse/soft command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html">pair_style gauss command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-cut-command">pair_style gauss/cut command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html">pair_style gayberne command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_gran.html">pair_style gran/hooke command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-command">pair_style gran/hooke/history command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-command">pair_style gran/hertz/history command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_granular.html">pair_style granular command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html">pair_style lj/gromacs command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-coul-gromacs-command">pair_style lj/gromacs/coul/gromacs command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_gw.html">pair_style gw command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_gw.html#pair-style-gw-zbl-command">pair_style gw/zbl command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_harmonic_cut.html">pair_style harmonic/cut command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-command">pair_style hbond/dreiding/morse command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_hdnnp.html">pair_style hdnnp command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-molecular-command">pair_style hybrid/molecular command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-overlay-command">pair_style hybrid/overlay command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-scaled-command">pair_style hybrid/scaled command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_ilp_graphene_hbn.html">pair_style ilp/graphene/hbn command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_ilp_tmd.html">pair_style ilp/tmd command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_kim.html">pair_style kim command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_kolmogorov_crespi_full.html">pair_style kolmogorov/crespi/full command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_kolmogorov_crespi_z.html">pair_style kolmogorov/crespi/z command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lcbop.html">pair_style lcbop command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lebedeva_z.html">pair_style lebedeva/z command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lepton.html">pair_style lepton command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_line_lj.html">pair_style line/lj command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_list.html">pair_style list command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj.html">pair_style lj/cut command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_cut_coul.html">pair_style lj/cut/coul/cut command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_cut_coul.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_cut_coul.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_cut_coul.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_cut_coul.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_cut_coul.html#pair-style-lj-cut-coul-wolf-command">pair_style lj/cut/coul/wolf command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_cut_sphere.html">pair_style lj/cut/sphere command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_cut_tip4p.html">pair_style lj/cut/tip4p/cut command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_cut_tip4p.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-coul-long-command">pair_style lj/expand/coul/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand_sphere.html">pair_style lj/expand/sphere command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-tip4p-long-command">pair_style lj/long/tip4p/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_relres.html">pair_style lj/relres command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_switch3_coulgauss_long.html">pair_style lj/switch3/coulgauss/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lj_switch3_coulgauss_long.html#pair-style-mm3-switch3-coulgauss-long-command">pair_style mm3/switch3/coulgauss/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_local_density.html">pair_style local/density command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html">pair_style lubricate command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lubricate.html#pair-style-lubricate-poly-command">pair_style lubricate/poly command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html">pair_style lubricateU command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_lubricateU.html#pair-style-lubricateu-poly-command">pair_style lubricateU/poly command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-ms-command">pair_style meam/ms command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_mesocnt.html">pair_style mesocnt command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_mesocnt.html#pair-style-mesocnt-viscous-command">pair_style mesocnt/viscous command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_mesodpd.html">pair_style edpd command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_mesodpd.html#pair-style-mdpd-command">pair_style mdpd command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_mesodpd.html#pair-style-mdpd-rhosum-command">pair_style mdpd/rhosum command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_mesodpd.html#pair-style-tdpd-command">pair_style tdpd command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_mgpt.html">pair_style mgpt command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_mie.html">pair_style mie/cut command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_mliap.html">pair_style mliap command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_momb.html">pair_style momb command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_morse.html">pair_style morse command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-smooth-linear-command">pair_style morse/smooth/linear command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy.html">pair_style multi/lucy command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_multi_lucy_rx.html">pair_style multi/lucy/rx command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_nb3b.html">pair_style nb3b/harmonic command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_nb3b.html#pair-style-nb3b-screened-command">pair_style nb3b/screened command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_nm.html">pair_style nm/cut command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-split-command">pair_style nm/cut/split command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-command">pair_style nm/cut/coul/cut command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-command">pair_style nm/cut/coul/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_none.html">pair_style none command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxdna.html">pair_style oxdna/excv command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxdna.html#pair-style-oxdna-stk-command">pair_style oxdna/stk command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxdna.html#pair-style-oxdna-hbond-command">pair_style oxdna/hbond command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxdna.html#pair-style-oxdna-xstk-command">pair_style oxdna/xstk command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxdna.html#pair-style-oxdna-coaxstk-command">pair_style oxdna/coaxstk command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxdna2.html">pair_style oxdna2/excv command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxdna2.html#pair-style-oxdna2-stk-command">pair_style oxdna2/stk command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxdna2.html#pair-style-oxdna2-hbond-command">pair_style oxdna2/hbond command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxdna2.html#pair-style-oxdna2-xstk-command">pair_style oxdna2/xstk command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxdna2.html#pair-style-oxdna2-coaxstk-command">pair_style oxdna2/coaxstk command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxdna2.html#pair-style-oxdna2-dh-command">pair_style oxdna2/dh command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxrna2.html">pair_style oxrna2/excv command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxrna2.html#pair-style-oxrna2-stk-command">pair_style oxrna2/stk command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxrna2.html#pair-style-oxrna2-hbond-command">pair_style oxrna2/hbond command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxrna2.html#pair-style-oxrna2-xstk-command">pair_style oxrna2/xstk command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxrna2.html#pair-style-oxrna2-coaxstk-command">pair_style oxrna2/coaxstk command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_oxrna2.html#pair-style-oxrna2-dh-command">pair_style oxrna2/dh command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_pace.html">pair_style pace command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_pace.html#pair-style-pace-extrapolation-command">pair_style pace/extrapolation command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_pedone.html">pair_style pedone command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_peri.html">pair_style peri/pmb command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-lps-command">pair_style peri/lps command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-ves-command">pair_style peri/ves command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-eps-command">pair_style peri/eps command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_pod.html">pair_style pod command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_polymorphic.html">pair_style polymorphic command</a></li>
|
||
<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style python 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="#mixing-shift-table-tail-correction-restart-rrespa-info">Mixing, shift, table, tail correction, restart, rRESPA info</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="pair_quip.html">pair_style quip command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_rann.html">pair_style rann command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_reaxff.html">pair_style reaxff command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_rebomos.html">pair_style rebomos command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html">pair_style resquared command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_rheo.html">pair_style rheo command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_rheo_solid.html">pair_style rheo/solid command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_saip_metal.html">pair_style saip/metal command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_sdpd_taitwater_isothermal.html">pair_style sdpd/taitwater/isothermal command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_smatb.html">pair_style smatb command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_smatb.html#pair-style-smatb-single-command">pair_style smatb/single command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_smd_hertz.html">pair_style smd/hertz command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_smd_tlsph.html">pair_style smd/tlsph command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_smd_triangulated_surface.html">pair_style smd/tri_surface command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_smd_ulsph.html">pair_style smd/ulsph command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_smtbq.html">pair_style smtbq command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_snap.html">pair_style snap command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_soft.html">pair_style soft command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_sph_heatconduction.html">pair_style sph/heatconduction command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_sph_idealgas.html">pair_style sph/idealgas command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_sph_lj.html">pair_style sph/lj command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_sph_rhosum.html">pair_style sph/rhosum command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater.html">pair_style sph/taitwater command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_sph_taitwater_morris.html">pair_style sph/taitwater/morris command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_spica.html">pair_style lj/spica command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_spica.html#pair-style-lj-spica-coul-long-command">pair_style lj/spica/coul/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_spica.html#pair-style-lj-spica-coul-msm-command">pair_style lj/spica/coul/msm command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_spin_dipole.html">pair_style spin/dipole/cut command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_spin_dipole.html#pair-style-spin-dipole-long-command">pair_style spin/dipole/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_spin_dmi.html">pair_style spin/dmi command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_spin_exchange.html">pair_style spin/exchange command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_spin_exchange.html#pair-style-spin-exchange-biquadratic-command">pair_style spin/exchange/biquadratic command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_spin_magelec.html">pair_style spin/magelec command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_spin_neel.html">pair_style spin/neel command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_srp.html">pair_style srp command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_srp.html#pair-style-srp-react-command">pair_style srp/react command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_sw.html">pair_style sw command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_sw.html#pair-style-sw-mod-command">pair_style sw/mod command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_sw_angle_table.html">pair_style sw/angle/table command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_table.html">pair_style table command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-c-command">pair_style tersoff/mod/c command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-command">pair_style lj/cut/thole/long command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_threebody_table.html">pair_style threebody/table command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_tracker.html">pair_style tracker command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_uf3.html">pair_style uf3 command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_ufm.html">pair_style ufm command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_wf_cut.html">pair_style wf/cut command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_ylz.html">pair_style ylz command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
|
||
<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
|
||
</ul>
|
||
</li>
|
||
<li class="toctree-l1"><a class="reference internal" href="bonds.html">Bond Styles</a></li>
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<li class="toctree-l1"><a class="reference internal" href="angles.html">Angle Styles</a></li>
|
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<li class="toctree-l1"><a class="reference internal" href="dihedrals.html">Dihedral Styles</a></li>
|
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<li class="toctree-l1"><a class="reference internal" href="impropers.html">Improper Styles</a></li>
|
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<li class="toctree-l1"><a class="reference internal" href="dumps.html">Dump Styles</a></li>
|
||
<li class="toctree-l1"><a class="reference internal" href="fix_modify_atc_commands.html">fix_modify AtC commands</a></li>
|
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<li class="toctree-l1"><a class="reference internal" href="Bibliography.html">Bibliography</a></li>
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</ul>
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<li class="breadcrumb-item active">pair_style python command</li>
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<a href="https://www.lammps.org"><img src="_static/lammps-logo.png" width="64" height="16" alt="LAMMPS Homepage"></a> | <a href="Commands_all.html">Commands</a>
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<div role="main" class="document" itemscope="itemscope" itemtype="http://schema.org/Article">
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<div itemprop="articleBody">
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<p><span class="math notranslate nohighlight">\(\renewcommand{\AA}{\text{Å}}\)</span></p>
|
||
<section id="pair-style-python-command">
|
||
<span id="index-0"></span><h1>pair_style python command<a class="headerlink" href="#pair-style-python-command" title="Link to this heading"></a></h1>
|
||
<section id="syntax">
|
||
<h2>Syntax<a class="headerlink" href="#syntax" title="Link to this heading"></a></h2>
|
||
<div class="highlight-LAMMPS notranslate"><div class="highlight"><pre><span></span><span class="k">pair_style</span><span class="w"> </span><span class="n">python</span><span class="w"> </span><span class="n">cutoff</span>
|
||
</pre></div>
|
||
</div>
|
||
<p>cutoff = global cutoff for interactions in python potential classes</p>
|
||
</section>
|
||
<section id="examples">
|
||
<h2>Examples<a class="headerlink" href="#examples" title="Link to this heading"></a></h2>
|
||
<div class="highlight-LAMMPS notranslate"><div class="highlight"><pre><span></span><span class="k">pair_style</span><span class="w"> </span><span class="n">python</span><span class="w"> </span><span class="m">2.5</span>
|
||
<span class="k">pair_coeff</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="n">py_pot.LJCutMelt</span><span class="w"> </span><span class="n">lj</span>
|
||
|
||
<span class="k">pair_style</span><span class="w"> </span><span class="n">python</span><span class="w"> </span><span class="m">10.0</span>
|
||
<span class="k">pair_coeff</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="n">py_pot.HarmonicCut</span><span class="w"> </span><span class="n">A</span><span class="w"> </span><span class="n">B</span>
|
||
|
||
<span class="k">pair_style</span><span class="w"> </span><span class="n">hybrid</span><span class="o">/</span><span class="n">overlay</span><span class="w"> </span><span class="n">coul</span><span class="o">/</span><span class="n">long</span><span class="w"> </span><span class="m">12.0</span><span class="w"> </span><span class="n">python</span><span class="w"> </span><span class="m">12.0</span>
|
||
<span class="k">pair_coeff</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="n">coul</span><span class="o">/</span><span class="n">long</span>
|
||
<span class="k">pair_coeff</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="n">python</span><span class="w"> </span><span class="n">py_pot.LJCutSPCE</span><span class="w"> </span><span class="n">OW</span><span class="w"> </span><span class="n">NULL</span>
|
||
</pre></div>
|
||
</div>
|
||
</section>
|
||
<section id="description">
|
||
<h2>Description<a class="headerlink" href="#description" title="Link to this heading"></a></h2>
|
||
<p>The <em>python</em> pair style provides a way to define pairwise additive
|
||
potential functions as python script code that is loaded into LAMMPS
|
||
from a python file which must contain specific python class definitions.
|
||
This allows to rapidly evaluate different potential functions without
|
||
having to modify and re-compile LAMMPS. Due to python being an
|
||
interpreted language, however, the performance of this pair style is
|
||
going to be significantly slower (often between 20x and 100x) than
|
||
corresponding compiled code. This penalty can be significantly reduced
|
||
through generating tabulations from the python code through the
|
||
<a class="reference internal" href="pair_write.html"><span class="doc">pair_write</span></a> command, which is supported by this style.</p>
|
||
<p>Only a single <a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a> command is used with the
|
||
<em>python</em> pair style which specifies a python class inside a python module
|
||
or a file that LAMMPS will look up in the current directory, a folder
|
||
pointed to by the <code class="docutils literal notranslate"><span class="pre">LAMMPS_POTENTIALS</span></code> environment variable or somewhere
|
||
in your python path. A single python module can hold multiple python pair
|
||
class definitions. The class definitions itself have to follow specific
|
||
rules that are explained below.</p>
|
||
<p>Atom types in the python class are specified through symbolic
|
||
constants, typically strings. These are mapped to LAMMPS atom types by
|
||
specifying N additional arguments after the class name in the
|
||
pair_coeff command, where N must be the number of currently defined
|
||
atom types:</p>
|
||
<p>As an example, imagine a file <em>py_pot.py</em> has a python potential class
|
||
names <em>LJCutMelt</em> with parameters and potential functions for a two
|
||
Lennard-Jones atom types labeled as ‘LJ1’ and ‘LJ2’. In your LAMMPS
|
||
input and you would have defined 3 atom types, out of which the first
|
||
two are supposed to be using the ‘LJ1’ parameters and the third the
|
||
‘LJ2’ parameters, then you would use the following pair_coeff command:</p>
|
||
<div class="highlight-LAMMPS notranslate"><div class="highlight"><pre><span></span><span class="k">pair_coeff</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="n">py_pot.LJCutMelt</span><span class="w"> </span><span class="n">LJ1</span><span class="w"> </span><span class="n">LJ1</span><span class="w"> </span><span class="n">LJ2</span>
|
||
</pre></div>
|
||
</div>
|
||
<p>The first two arguments <strong>must</strong> be * * so as to span all LAMMPS atom
|
||
types. The first two LJ1 arguments map LAMMPS atom types 1 and 2 to
|
||
the LJ1 atom type in the LJCutMelt class of the py_pot.py file. The
|
||
final LJ2 argument maps LAMMPS atom type 3 to the LJ2 atom type the
|
||
python file. If a mapping value is specified as NULL, the mapping is
|
||
not performed, any pair interaction with this atom type will be
|
||
skipped. This can be used when a <em>python</em> potential is used as part of
|
||
the <em>hybrid</em> or <em>hybrid/overlay</em> pair style. The NULL values are then
|
||
placeholders for atom types that will be used with other potentials.</p>
|
||
<hr class="docutils" />
|
||
<p>The python potential file has to start with the following code:</p>
|
||
<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span><span class="w"> </span><span class="nn">__future__</span><span class="w"> </span><span class="kn">import</span> <span class="n">print_function</span>
|
||
|
||
<span class="k">class</span><span class="w"> </span><span class="nc">LAMMPSPairPotential</span><span class="p">(</span><span class="nb">object</span><span class="p">):</span>
|
||
<span class="k">def</span><span class="w"> </span><span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||
<span class="bp">self</span><span class="o">.</span><span class="n">pmap</span><span class="o">=</span><span class="nb">dict</span><span class="p">()</span>
|
||
<span class="bp">self</span><span class="o">.</span><span class="n">units</span><span class="o">=</span><span class="s1">'lj'</span>
|
||
<span class="k">def</span><span class="w"> </span><span class="nf">map_coeff</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">name</span><span class="p">,</span><span class="n">ltype</span><span class="p">):</span>
|
||
<span class="bp">self</span><span class="o">.</span><span class="n">pmap</span><span class="p">[</span><span class="n">ltype</span><span class="p">]</span><span class="o">=</span><span class="n">name</span>
|
||
<span class="k">def</span><span class="w"> </span><span class="nf">check_units</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">units</span><span class="p">):</span>
|
||
<span class="k">if</span> <span class="p">(</span><span class="n">units</span> <span class="o">!=</span> <span class="bp">self</span><span class="o">.</span><span class="n">units</span><span class="p">):</span>
|
||
<span class="k">raise</span> <span class="ne">Exception</span><span class="p">(</span><span class="s2">"Conflicting units: </span><span class="si">%s</span><span class="s2"> vs. </span><span class="si">%s</span><span class="s2">"</span> <span class="o">%</span> <span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">units</span><span class="p">,</span><span class="n">units</span><span class="p">))</span>
|
||
</pre></div>
|
||
</div>
|
||
<p>Any classes with definitions of specific potentials have to be derived
|
||
from this class and should be initialize in a similar fashion to the
|
||
example given below.</p>
|
||
<div class="admonition note">
|
||
<p class="admonition-title">Note</p>
|
||
<p>The class constructor has to set up a data structure containing
|
||
the potential parameters supported by this class. It should also
|
||
define a variable <em>self.units</em> containing a string matching one of the
|
||
options of LAMMPS’ <a class="reference internal" href="units.html"><span class="doc">units</span></a> command, which is used to
|
||
verify, that the potential definition in the python class and in the
|
||
LAMMPS input match.</p>
|
||
</div>
|
||
<p>Here is an example for a single type Lennard-Jones potential class
|
||
<em>LJCutMelt</em> in reduced units, which defines an atom type <em>lj</em> for
|
||
which the parameters epsilon and sigma are both 1.0:</p>
|
||
<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="k">class</span><span class="w"> </span><span class="nc">LJCutMelt</span><span class="p">(</span><span class="n">LAMMPSPairPotential</span><span class="p">):</span>
|
||
<span class="k">def</span><span class="w"> </span><span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||
<span class="nb">super</span><span class="p">(</span><span class="n">LJCutMelt</span><span class="p">,</span><span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
|
||
<span class="c1"># set coeffs: 48*eps*sig**12, 24*eps*sig**6,</span>
|
||
<span class="c1"># 4*eps*sig**12, 4*eps*sig**6</span>
|
||
<span class="bp">self</span><span class="o">.</span><span class="n">units</span> <span class="o">=</span> <span class="s1">'lj'</span>
|
||
<span class="bp">self</span><span class="o">.</span><span class="n">coeff</span> <span class="o">=</span> <span class="p">{</span><span class="s1">'lj'</span> <span class="p">:</span> <span class="p">{</span><span class="s1">'lj'</span> <span class="p">:</span> <span class="p">(</span><span class="mf">48.0</span><span class="p">,</span><span class="mf">24.0</span><span class="p">,</span><span class="mf">4.0</span><span class="p">,</span><span class="mf">4.0</span><span class="p">)}}</span>
|
||
</pre></div>
|
||
</div>
|
||
<p>The class also has to provide two methods for the computation of the
|
||
potential energy and forces, which have be named <em>compute_force</em>,
|
||
and <em>compute_energy</em>, which both take 3 numerical arguments:</p>
|
||
<ul class="simple">
|
||
<li><p>rsq = the square of the distance between a pair of atoms (float)</p></li>
|
||
<li><p>itype = the (numerical) type of the first atom</p></li>
|
||
<li><p>jtype = the (numerical) type of the second atom</p></li>
|
||
</ul>
|
||
<p>This functions need to compute the (scaled) force and the energy,
|
||
respectively, and use the result as return value. The functions need
|
||
to use the <em>pmap</em> dictionary to convert the LAMMPS atom type number
|
||
to the symbolic value of the internal potential parameter data structure.
|
||
Following the <em>LJCutMelt</em> example, here are the two functions:</p>
|
||
<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="k">def</span><span class="w"> </span><span class="nf">compute_force</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">rsq</span><span class="p">,</span><span class="n">itype</span><span class="p">,</span><span class="n">jtype</span><span class="p">):</span>
|
||
<span class="n">coeff</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">coeff</span><span class="p">[</span><span class="bp">self</span><span class="o">.</span><span class="n">pmap</span><span class="p">[</span><span class="n">itype</span><span class="p">]][</span><span class="bp">self</span><span class="o">.</span><span class="n">pmap</span><span class="p">[</span><span class="n">jtype</span><span class="p">]]</span>
|
||
<span class="n">r2inv</span> <span class="o">=</span> <span class="mf">1.0</span><span class="o">/</span><span class="n">rsq</span>
|
||
<span class="n">r6inv</span> <span class="o">=</span> <span class="n">r2inv</span><span class="o">*</span><span class="n">r2inv</span><span class="o">*</span><span class="n">r2inv</span>
|
||
<span class="n">lj1</span> <span class="o">=</span> <span class="n">coeff</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
||
<span class="n">lj2</span> <span class="o">=</span> <span class="n">coeff</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span>
|
||
<span class="k">return</span> <span class="p">(</span><span class="n">r6inv</span> <span class="o">*</span> <span class="p">(</span><span class="n">lj1</span><span class="o">*</span><span class="n">r6inv</span> <span class="o">-</span> <span class="n">lj2</span><span class="p">))</span><span class="o">*</span><span class="n">r2inv</span>
|
||
|
||
<span class="k">def</span><span class="w"> </span><span class="nf">compute_energy</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">rsq</span><span class="p">,</span><span class="n">itype</span><span class="p">,</span><span class="n">jtype</span><span class="p">):</span>
|
||
<span class="n">coeff</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">coeff</span><span class="p">[</span><span class="bp">self</span><span class="o">.</span><span class="n">pmap</span><span class="p">[</span><span class="n">itype</span><span class="p">]][</span><span class="bp">self</span><span class="o">.</span><span class="n">pmap</span><span class="p">[</span><span class="n">jtype</span><span class="p">]]</span>
|
||
<span class="n">r2inv</span> <span class="o">=</span> <span class="mf">1.0</span><span class="o">/</span><span class="n">rsq</span>
|
||
<span class="n">r6inv</span> <span class="o">=</span> <span class="n">r2inv</span><span class="o">*</span><span class="n">r2inv</span><span class="o">*</span><span class="n">r2inv</span>
|
||
<span class="n">lj3</span> <span class="o">=</span> <span class="n">coeff</span><span class="p">[</span><span class="mi">2</span><span class="p">]</span>
|
||
<span class="n">lj4</span> <span class="o">=</span> <span class="n">coeff</span><span class="p">[</span><span class="mi">3</span><span class="p">]</span>
|
||
<span class="k">return</span> <span class="p">(</span><span class="n">r6inv</span> <span class="o">*</span> <span class="p">(</span><span class="n">lj3</span><span class="o">*</span><span class="n">r6inv</span> <span class="o">-</span> <span class="n">lj4</span><span class="p">))</span>
|
||
</pre></div>
|
||
</div>
|
||
<div class="admonition note">
|
||
<p class="admonition-title">Note</p>
|
||
<p>for consistency with the C++ pair styles in LAMMPS, the
|
||
<em>compute_force</em> function follows the conventions of the Pair::single()
|
||
methods and does not return the pairwise force directly, but the force
|
||
divided by the distance between the two atoms, so this value only needs
|
||
to be multiplied by delta x, delta y, and delta z to conveniently obtain
|
||
the three components of the force vector between these two atoms.</p>
|
||
</div>
|
||
<p>Below is a more complex example using <em>real</em> units and defines an interaction
|
||
equivalent to:</p>
|
||
<div class="highlight-LAMMPS notranslate"><div class="highlight"><pre><span></span><span class="k">units</span><span class="w"> </span><span class="n">real</span>
|
||
<span class="k">pair_style</span><span class="w"> </span><span class="n">harmonic</span><span class="o">/</span><span class="n">cut</span>
|
||
<span class="k">pair_coeff</span><span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">0.2</span><span class="w"> </span><span class="m">9.0</span>
|
||
<span class="k">pair_coeff</span><span class="w"> </span><span class="m">2</span><span class="w"> </span><span class="m">2</span><span class="w"> </span><span class="m">0.4</span><span class="w"> </span><span class="m">9.0</span>
|
||
</pre></div>
|
||
</div>
|
||
<p>This uses the default geometric mixing. The equivalent input with pair
|
||
style <em>python</em> is:</p>
|
||
<div class="highlight-LAMMPS notranslate"><div class="highlight"><pre><span></span><span class="k">units</span><span class="w"> </span><span class="n">real</span>
|
||
<span class="k">pair_style</span><span class="w"> </span><span class="n">python</span><span class="w"> </span><span class="m">10.0</span>
|
||
<span class="k">pair_coeff</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="n">py_pot.Harmonic</span><span class="w"> </span><span class="n">A</span><span class="w"> </span><span class="n">B</span>
|
||
</pre></div>
|
||
</div>
|
||
<p>Note that while for pair style <em>harmonic/cut</em> the cutoff is implicitly
|
||
set to the minimum of the harmonic potential, for pair style python a
|
||
global cutoff must be set and it must be equal or larger to the implicit
|
||
cutoff of the potential in python, which has to explicitly return zero
|
||
force and energy beyond the cutoff. Also, the mixed parameters have to
|
||
be explicitly provided. The corresponding python code is:</p>
|
||
<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="k">class</span><span class="w"> </span><span class="nc">Harmonic</span><span class="p">(</span><span class="n">LAMMPSPairPotential</span><span class="p">):</span>
|
||
<span class="k">def</span><span class="w"> </span><span class="fm">__init__</span><span class="p">(</span><span class="bp">self</span><span class="p">):</span>
|
||
<span class="nb">super</span><span class="p">(</span><span class="n">Harmonic</span><span class="p">,</span><span class="bp">self</span><span class="p">)</span><span class="o">.</span><span class="fm">__init__</span><span class="p">()</span>
|
||
<span class="bp">self</span><span class="o">.</span><span class="n">units</span> <span class="o">=</span> <span class="s1">'real'</span>
|
||
<span class="c1"># set coeffs: K, r0</span>
|
||
<span class="bp">self</span><span class="o">.</span><span class="n">coeff</span> <span class="o">=</span> <span class="p">{</span><span class="s1">'A'</span> <span class="p">:</span> <span class="p">{</span><span class="s1">'A'</span> <span class="p">:</span> <span class="p">(</span><span class="mf">0.2</span><span class="p">,</span><span class="mf">9.0</span><span class="p">),</span>
|
||
<span class="s1">'B'</span> <span class="p">:</span> <span class="p">(</span><span class="n">math</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="mf">0.2</span><span class="o">*</span><span class="mf">0.4</span><span class="p">),</span><span class="mf">9.0</span><span class="p">)},</span>
|
||
<span class="s1">'B'</span> <span class="p">:</span> <span class="p">{</span><span class="s1">'A'</span> <span class="p">:</span> <span class="p">(</span><span class="n">math</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="mf">0.2</span><span class="o">*</span><span class="mf">0.4</span><span class="p">),</span><span class="mf">9.0</span><span class="p">),</span>
|
||
<span class="s1">'B'</span> <span class="p">:</span> <span class="p">(</span><span class="mf">0.4</span><span class="p">,</span><span class="mf">9.0</span><span class="p">)}}</span>
|
||
|
||
<span class="k">def</span><span class="w"> </span><span class="nf">compute_force</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">rsq</span><span class="p">,</span><span class="n">itype</span><span class="p">,</span><span class="n">jtype</span><span class="p">):</span>
|
||
<span class="n">coeff</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">coeff</span><span class="p">[</span><span class="bp">self</span><span class="o">.</span><span class="n">pmap</span><span class="p">[</span><span class="n">itype</span><span class="p">]][</span><span class="bp">self</span><span class="o">.</span><span class="n">pmap</span><span class="p">[</span><span class="n">jtype</span><span class="p">]]</span>
|
||
<span class="n">r</span> <span class="o">=</span> <span class="n">math</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="n">rsq</span><span class="p">)</span>
|
||
<span class="n">delta</span> <span class="o">=</span> <span class="n">coeff</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">-</span><span class="n">r</span>
|
||
<span class="k">if</span> <span class="p">(</span><span class="n">r</span> <span class="o"><</span> <span class="n">coeff</span><span class="p">[</span><span class="mi">1</span><span class="p">]):</span>
|
||
<span class="k">return</span> <span class="mf">2.0</span><span class="o">*</span><span class="n">delta</span><span class="o">*</span><span class="n">coeff</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">/</span><span class="n">r</span>
|
||
<span class="k">else</span><span class="p">:</span>
|
||
<span class="k">return</span> <span class="mf">0.0</span>
|
||
|
||
<span class="k">def</span><span class="w"> </span><span class="nf">compute_energy</span><span class="p">(</span><span class="bp">self</span><span class="p">,</span><span class="n">rsq</span><span class="p">,</span><span class="n">itype</span><span class="p">,</span><span class="n">jtype</span><span class="p">):</span>
|
||
<span class="n">coeff</span> <span class="o">=</span> <span class="bp">self</span><span class="o">.</span><span class="n">coeff</span><span class="p">[</span><span class="bp">self</span><span class="o">.</span><span class="n">pmap</span><span class="p">[</span><span class="n">itype</span><span class="p">]][</span><span class="bp">self</span><span class="o">.</span><span class="n">pmap</span><span class="p">[</span><span class="n">jtype</span><span class="p">]]</span>
|
||
<span class="n">r</span> <span class="o">=</span> <span class="n">math</span><span class="o">.</span><span class="n">sqrt</span><span class="p">(</span><span class="n">rsq</span><span class="p">)</span>
|
||
<span class="n">delta</span> <span class="o">=</span> <span class="n">coeff</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">-</span><span class="n">r</span>
|
||
<span class="k">if</span> <span class="p">(</span><span class="n">r</span> <span class="o"><</span> <span class="n">coeff</span><span class="p">[</span><span class="mi">1</span><span class="p">]):</span>
|
||
<span class="k">return</span> <span class="n">delta</span><span class="o">*</span><span class="n">delta</span><span class="o">*</span><span class="n">coeff</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span>
|
||
<span class="k">else</span><span class="p">:</span>
|
||
<span class="k">return</span> <span class="mf">0.0</span>
|
||
</pre></div>
|
||
</div>
|
||
<hr class="docutils" />
|
||
<div class="note admonition">
|
||
<p class="admonition-title">Performance Impact</p>
|
||
<p>The evaluation of scripted python code will slow down the computation
|
||
of pairwise interactions quite significantly. However, this performance
|
||
penalty can be worked around through using the python pair style not
|
||
for the actual simulation, but to generate tabulated potentials using
|
||
the <a class="reference internal" href="pair_write.html"><span class="doc">pair_write</span></a> command. This will also enable
|
||
GPU or multi-thread acceleration through the GPU, KOKKOS, or OPENMP
|
||
package versions of the <em>table</em> pair style. Please see below for a
|
||
LAMMPS input example demonstrating how to build a table file:</p>
|
||
</div>
|
||
<div class="highlight-LAMMPS notranslate"><div class="highlight"><pre><span></span><span class="k">pair_style</span><span class="w"> </span><span class="n">python</span><span class="w"> </span><span class="m">2.5</span>
|
||
<span class="k">pair_coeff</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="o">*</span><span class="w"> </span><span class="n">py_pot.LJCutMelt</span><span class="w"> </span><span class="n">lj</span>
|
||
<span class="k">shell</span><span class="w"> </span><span class="n">rm</span><span class="w"> </span><span class="o">-</span><span class="n">f</span><span class="w"> </span><span class="n">lj.table</span>
|
||
<span class="k">pair_write</span><span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">2000</span><span class="w"> </span><span class="n">rsq</span><span class="w"> </span><span class="m">0.01</span><span class="w"> </span><span class="m">2.5</span><span class="w"> </span><span class="n">lj.table</span><span class="w"> </span><span class="n">lj</span>
|
||
</pre></div>
|
||
</div>
|
||
<p>Note that it is strongly recommended to try to <strong>delete</strong> the potential
|
||
table file before generating it. Since the <em>pair_write</em> command will
|
||
always <strong>append</strong> to a table file, while pair style table will use the
|
||
<strong>first match</strong>. Thus when changing the potential function in the python
|
||
class, the table pair style will still read the old variant unless the
|
||
table file is first deleted.</p>
|
||
<p>After switching the pair style to <em>table</em>, the potential tables need
|
||
to be assigned to the LAMMPS atom types like this:</p>
|
||
<div class="highlight-LAMMPS notranslate"><div class="highlight"><pre><span></span><span class="k">pair_style</span><span class="w"> </span><span class="n">table</span><span class="w"> </span><span class="n">linear</span><span class="w"> </span><span class="m">2000</span>
|
||
<span class="k">pair_coeff</span><span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="m">1</span><span class="w"> </span><span class="n">lj.table</span><span class="w"> </span><span class="n">lj</span>
|
||
</pre></div>
|
||
</div>
|
||
<p>This can also be done for more complex systems. Please see the
|
||
<em>examples/python</em> folders for a few more examples.</p>
|
||
</section>
|
||
<hr class="docutils" />
|
||
<section id="mixing-shift-table-tail-correction-restart-rrespa-info">
|
||
<h2>Mixing, shift, table, tail correction, restart, rRESPA info<a class="headerlink" href="#mixing-shift-table-tail-correction-restart-rrespa-info" title="Link to this heading"></a></h2>
|
||
<p>Mixing of potential parameters has to be handled inside the provided
|
||
python module. The python pair style simply assumes that force and
|
||
energy computation can be correctly performed for all pairs of atom
|
||
types as they are mapped to the atom type labels inside the python
|
||
potential class.</p>
|
||
<p>This pair style does not support the <a class="reference internal" href="pair_modify.html"><span class="doc">pair_modify</span></a>
|
||
shift, table, and tail options.</p>
|
||
<p>This pair style does not write its information to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>, since it is stored in potential files. Thus, you
|
||
need to re-specify the pair_style and pair_coeff commands in an input
|
||
script that reads a restart file.</p>
|
||
<p>This pair style can only be used via the <em>pair</em> keyword of the
|
||
<a class="reference internal" href="run_style.html"><span class="doc">run_style respa</span></a> command. It does not support the
|
||
<em>inner</em>, <em>middle</em>, <em>outer</em> keywords.</p>
|
||
</section>
|
||
<hr class="docutils" />
|
||
<section id="restrictions">
|
||
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Link to this heading"></a></h2>
|
||
<p>This pair style is part of the PYTHON package. It is only enabled if
|
||
LAMMPS was built with that package. See the <a class="reference internal" href="Build_package.html"><span class="doc">Build package</span></a> page for more info.</p>
|
||
</section>
|
||
<section id="related-commands">
|
||
<h2>Related commands<a class="headerlink" href="#related-commands" title="Link to this heading"></a></h2>
|
||
<p><a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a>, <a class="reference internal" href="pair_write.html"><span class="doc">pair_write</span></a>,
|
||
<a class="reference internal" href="pair_table.html"><span class="doc">pair style table</span></a></p>
|
||
</section>
|
||
<section id="default">
|
||
<h2>Default<a class="headerlink" href="#default" title="Link to this heading"></a></h2>
|
||
<p>none</p>
|
||
</section>
|
||
</section>
|
||
|
||
|
||
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|
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