lammps/doc/html/pair_charmm.html

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  <title>pair_style lj/charmm/coul/charmm command &mdash; LAMMPS documentation</title>
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            <div class="lammps_version">Version: <b>19 Nov 2024</b></div>
            <div class="lammps_release">git info: </div>
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              <p class="caption" role="heading"><span class="caption-text">User Guide</span></p>
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<li class="toctree-l1"><a class="reference internal" href="Intro.html">1. Introduction</a></li>
<li class="toctree-l1"><a class="reference internal" href="Install.html">2. Install LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Build.html">3. Build LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Run_head.html">4. Run LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Commands.html">5. Commands</a></li>
<li class="toctree-l1"><a class="reference internal" href="Packages.html">6. Optional packages</a></li>
<li class="toctree-l1"><a class="reference internal" href="Speed.html">7. Accelerate performance</a></li>
<li class="toctree-l1"><a class="reference internal" href="Howto.html">8. Howto discussions</a></li>
<li class="toctree-l1"><a class="reference internal" href="Examples.html">9. Example scripts</a></li>
<li class="toctree-l1"><a class="reference internal" href="Tools.html">10. Auxiliary tools</a></li>
<li class="toctree-l1"><a class="reference internal" href="Errors.html">11. Errors</a></li>
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<p class="caption" role="heading"><span class="caption-text">Programmer Guide</span></p>
<ul>
<li class="toctree-l1"><a class="reference internal" href="Library.html">1. LAMMPS Library Interfaces</a></li>
<li class="toctree-l1"><a class="reference internal" href="Python_head.html">2. Use Python with LAMMPS</a></li>
<li class="toctree-l1"><a class="reference internal" href="Modify.html">3. Modifying &amp; extending LAMMPS</a></li>
<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>
<ul class="current">
<li class="toctree-l1"><a class="reference internal" href="commands_list.html">Commands</a></li>
<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fix Styles</a></li>
<li class="toctree-l1"><a class="reference internal" href="computes.html">Compute Styles</a></li>
<li class="toctree-l1 current"><a class="reference internal" href="pairs.html">Pair Styles</a><ul class="current">
<li class="toctree-l2"><a class="reference internal" href="pair_adp.html">pair_style adp command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_agni.html">pair_style agni command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_aip_water_2dm.html">pair_style aip/water/2dm command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html">pair_style airebo command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-airebo-morse-command">pair_style airebo/morse command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_airebo.html#pair-style-rebo-command">pair_style rebo command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_amoeba.html">pair_style amoeba command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_amoeba.html#pair-style-hippo-command">pair_style hippo command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_atm.html">pair_style atm command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_awpmd.html">pair_style awpmd/cut command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_beck.html">pair_style beck command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_body_nparticle.html">pair_style body/nparticle command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_body_rounded_polygon.html">pair_style body/rounded/polygon command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_body_rounded_polyhedron.html">pair_style body/rounded/polyhedron command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_bop.html">pair_style bop command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_born.html">pair_style born command</a></li>
<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>
<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>
<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>
<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>
<li class="toctree-l2"><a class="reference internal" href="pair_born_gauss.html">pair_style born/gauss command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_bpm_spring.html">pair_style bpm/spring command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html">pair_style brownian command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_brownian.html#pair-style-brownian-poly-command">pair_style brownian/poly command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_buck.html">pair_style buck command</a></li>
<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>
<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>
<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>
<li class="toctree-l2"><a class="reference internal" href="pair_buck6d_coul_gauss.html">pair_style buck6d/coul/gauss/dsf command</a></li>
<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>
<li class="toctree-l2"><a class="reference internal" href="pair_buck_long.html">pair_style buck/long/coul/long command</a></li>
<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style lj/charmm/coul/charmm command</a></li>
<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmm-coul-charmm-implicit-command">pair_style lj/charmm/coul/charmm/implicit command</a></li>
<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmm-coul-long-command">pair_style lj/charmm/coul/long command</a></li>
<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmm-coul-msm-command">pair_style lj/charmm/coul/msm command</a></li>
<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmmfsw-coul-charmmfsh-command">pair_style lj/charmmfsw/coul/charmmfsh command</a></li>
<li class="toctree-l2"><a class="reference internal" href="#pair-style-lj-charmmfsw-coul-long-command">pair_style lj/charmmfsw/coul/long 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_class2.html">pair_style lj/class2 command</a></li>
<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>
<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>
<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html">pair_style colloid command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_comb.html">pair_style comb command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_comb.html#pair-style-comb3-command">pair_style comb3 command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_cosine_squared.html">pair_style cosine/squared command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html">pair_style coul/cut command</a></li>
<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>
<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>
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-msm-command">pair_style coul/msm command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-streitz-command">pair_style coul/streitz command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-command">pair_style coul/wolf command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-cut-command">pair_style tip4p/cut command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-command">pair_style tip4p/long command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_coul_diel.html">pair_style coul/diel command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_coul_shield.html">pair_style coul/shield command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_coul_slater.html">pair_style coul/slater command</a></li>
<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>
<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>
<li class="toctree-l2"><a class="reference internal" href="pair_coul_tt.html">pair_style coul/tt command</a></li>
<li class="toctree-l2"><a class="reference internal" href="pair_cs.html">pair_style born/coul/dsf/cs command</a></li>
<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>
<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>
<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>
<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>
<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>
<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>
<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>
<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>
<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"><a class="reference internal" href="pair_python.html">pair_style python command</a></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>
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  <p><span class="math notranslate nohighlight">\(\renewcommand{\AA}{\text{Å}}\)</span></p>
<section id="pair-style-lj-charmm-coul-charmm-command">
<span id="index-18"></span><span id="index-17"></span><span id="index-16"></span><span id="index-15"></span><span id="index-14"></span><span id="index-13"></span><span id="index-12"></span><span id="index-11"></span><span id="index-10"></span><span id="index-9"></span><span id="index-8"></span><span id="index-7"></span><span id="index-6"></span><span id="index-5"></span><span id="index-4"></span><span id="index-3"></span><span id="index-2"></span><span id="index-1"></span><span id="index-0"></span><h1>pair_style lj/charmm/coul/charmm command<a class="headerlink" href="#pair-style-lj-charmm-coul-charmm-command" title="Link to this heading"></a></h1>
<p>Accelerator Variants: <em>lj/charmm/coul/charmm/gpu</em>, <em>lj/charmm/coul/charmm/intel</em>, <em>lj/charmm/coul/charmm/kk</em>, <em>lj/charmm/coul/charmm/omp</em></p>
</section>
<section id="pair-style-lj-charmm-coul-charmm-implicit-command">
<h1>pair_style lj/charmm/coul/charmm/implicit command<a class="headerlink" href="#pair-style-lj-charmm-coul-charmm-implicit-command" title="Link to this heading"></a></h1>
<p>Accelerator Variants: <em>lj/charmm/coul/charmm/implicit/kk</em>, <em>lj/charmm/coul/charmm/implicit/omp</em></p>
</section>
<section id="pair-style-lj-charmm-coul-long-command">
<h1>pair_style lj/charmm/coul/long command<a class="headerlink" href="#pair-style-lj-charmm-coul-long-command" title="Link to this heading"></a></h1>
<p>Accelerator Variants: <em>lj/charmm/coul/long/gpu</em>, <em>lj/charmm/coul/long/intel</em>, <em>lj/charmm/coul/long/kk</em>, <em>lj/charmm/coul/long/opt</em>, <em>lj/charmm/coul/long/omp</em></p>
</section>
<section id="pair-style-lj-charmm-coul-msm-command">
<h1>pair_style lj/charmm/coul/msm command<a class="headerlink" href="#pair-style-lj-charmm-coul-msm-command" title="Link to this heading"></a></h1>
<p>Accelerator Variants: <em>lj/charmm/coul/msm/omp</em></p>
</section>
<section id="pair-style-lj-charmmfsw-coul-charmmfsh-command">
<h1>pair_style lj/charmmfsw/coul/charmmfsh command<a class="headerlink" href="#pair-style-lj-charmmfsw-coul-charmmfsh-command" title="Link to this heading"></a></h1>
</section>
<section id="pair-style-lj-charmmfsw-coul-long-command">
<h1>pair_style lj/charmmfsw/coul/long command<a class="headerlink" href="#pair-style-lj-charmmfsw-coul-long-command" title="Link to this heading"></a></h1>
<p>Accelerator Variants: <em>lj/charmmfsw/coul/long/kk</em></p>
<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">style</span><span class="w"> </span><span class="n">args</span>
</pre></div>
</div>
<ul class="simple">
<li><p>style = <em>lj/charmm/coul/charmm</em> or <em>lj/charmm/coul/charmm/implicit</em> or <em>lj/charmm/coul/long</em> or <em>lj/charmm/coul/msm</em> or <em>lj/charmmfsw/coul/charmmfsh</em> or <em>lj/charmmfsw/coul/long</em></p></li>
<li><p>args = list of arguments for a particular style</p></li>
</ul>
<pre class="literal-block"><em>lj/charmm/coul/charmm</em> args = inner outer (inner2) (outer2)
  inner, outer = global switching cutoffs for Lennard Jones (and Coulombic if only 2 args)
  inner2, outer2 = global switching cutoffs for Coulombic (optional)
<em>lj/charmm/coul/charmm/implicit</em> args = inner outer (inner2) (outer2)
  inner, outer = global switching cutoffs for LJ (and Coulombic if only 2 args)
  inner2, outer2 = global switching cutoffs for Coulombic (optional)
<em>lj/charmm/coul/long</em> args = inner outer (cutoff)
  inner, outer = global switching cutoffs for LJ (and Coulombic if only 2 args)
  cutoff = global cutoff for Coulombic (optional, outer is Coulombic cutoff if only 2 args)
<em>lj/charmm/coul/msm</em> args = inner outer (cutoff)
  inner, outer = global switching cutoffs for LJ (and Coulombic if only 2 args)
  cutoff = global cutoff for Coulombic (optional, outer is Coulombic cutoff if only 2 args)
<em>lj/charmmfsw/coul/charmmfsh</em> args = inner outer (cutoff)
  inner, outer = global cutoffs for LJ (and Coulombic if only 2 args)
  cutoff = global cutoff for Coulombic (optional, outer is Coulombic cutoff if only 2 args)
<em>lj/charmmfsw/coul/long</em> args = inner outer (cutoff)
  inner, outer = global cutoffs for LJ (and Coulombic if only 2 args)
  cutoff = global cutoff for Coulombic (optional, outer is Coulombic cutoff if only 2 args)</pre>
</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">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">charmm</span><span class="w"> </span><span class="m">8.0</span><span class="w"> </span><span class="m">10.0</span>
<span class="k">pair_style</span><span class="w"> </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">charmm</span><span class="w"> </span><span class="m">8.0</span><span class="w"> </span><span class="m">10.0</span><span class="w"> </span><span class="m">7.0</span><span class="w"> </span><span class="m">9.0</span>
<span class="k">pair_style</span><span class="w"> </span><span class="n">lj</span><span class="o">/</span><span class="n">charmmfsw</span><span class="o">/</span><span class="n">coul</span><span class="o">/</span><span class="n">charmmfsh</span><span class="w"> </span><span class="m">10.0</span><span class="w"> </span><span class="m">12.0</span>
<span class="k">pair_style</span><span class="w"> </span><span class="n">lj</span><span class="o">/</span><span class="n">charmmfsw</span><span class="o">/</span><span class="n">coul</span><span class="o">/</span><span class="n">charmmfsh</span><span class="w"> </span><span class="m">10.0</span><span class="w"> </span><span class="m">12.0</span><span class="w"> </span><span class="m">9.0</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="m">100.0</span><span class="w"> </span><span class="m">2.0</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">100.0</span><span class="w"> </span><span class="m">2.0</span><span class="w"> </span><span class="m">150.0</span><span class="w"> </span><span class="m">3.5</span>

<span class="k">pair_style</span><span class="w"> </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">charmm</span><span class="o">/</span><span class="n">implicit</span><span class="w"> </span><span class="m">8.0</span><span class="w"> </span><span class="m">10.0</span>
<span class="k">pair_style</span><span class="w"> </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">charmm</span><span class="o">/</span><span class="n">implicit</span><span class="w"> </span><span class="m">8.0</span><span class="w"> </span><span class="m">10.0</span><span class="w"> </span><span class="m">7.0</span><span class="w"> </span><span class="m">9.0</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="m">100.0</span><span class="w"> </span><span class="m">2.0</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">100.0</span><span class="w"> </span><span class="m">2.0</span><span class="w"> </span><span class="m">150.0</span><span class="w"> </span><span class="m">3.5</span>

<span class="k">pair_style</span><span class="w"> </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="w"> </span><span class="m">8.0</span><span class="w"> </span><span class="m">10.0</span>
<span class="k">pair_style</span><span class="w"> </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="w"> </span><span class="m">8.0</span><span class="w"> </span><span class="m">10.0</span><span class="w"> </span><span class="m">9.0</span>
<span class="k">pair_style</span><span class="w"> </span><span class="n">lj</span><span class="o">/</span><span class="n">charmmfsw</span><span class="o">/</span><span class="n">coul</span><span class="o">/</span><span class="n">long</span><span class="w"> </span><span class="m">8.0</span><span class="w"> </span><span class="m">10.0</span>
<span class="k">pair_style</span><span class="w"> </span><span class="n">lj</span><span class="o">/</span><span class="n">charmmfsw</span><span class="o">/</span><span class="n">coul</span><span class="o">/</span><span class="n">long</span><span class="w"> </span><span class="m">8.0</span><span class="w"> </span><span class="m">10.0</span><span class="w"> </span><span class="m">9.0</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="m">100.0</span><span class="w"> </span><span class="m">2.0</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">100.0</span><span class="w"> </span><span class="m">2.0</span><span class="w"> </span><span class="m">150.0</span><span class="w"> </span><span class="m">3.5</span>

<span class="k">pair_style</span><span class="w"> </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">msm</span><span class="w"> </span><span class="m">8.0</span><span class="w"> </span><span class="m">10.0</span>
<span class="k">pair_style</span><span class="w"> </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">msm</span><span class="w"> </span><span class="m">8.0</span><span class="w"> </span><span class="m">10.0</span><span class="w"> </span><span class="m">9.0</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="m">100.0</span><span class="w"> </span><span class="m">2.0</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">100.0</span><span class="w"> </span><span class="m">2.0</span><span class="w"> </span><span class="m">150.0</span><span class="w"> </span><span class="m">3.5</span>
</pre></div>
</div>
</section>
<section id="description">
<h2>Description<a class="headerlink" href="#description" title="Link to this heading"></a></h2>
<p>These pair styles compute Lennard Jones (LJ) and Coulombic
interactions with additional switching or shifting functions that ramp
the energy and/or force smoothly to zero between an inner and outer
cutoff.  They implement the widely used CHARMM force field, see
<a class="reference internal" href="Howto_bioFF.html"><span class="doc">Howto discussion on biomolecular force fields</span></a> for
details.</p>
<p>The styles with <em>charmm</em> (not <em>charmmfsw</em> or <em>charmmfsh</em>) in their
name are the older, original LAMMPS implementations.  They compute the
LJ and Coulombic interactions with an energy switching function which
ramps the energy smoothly to zero between the inner and outer cutoff.
This can cause irregularities in pairwise forces (due to the discontinuous
second derivative of energy at the boundaries of the switching region),
which in some cases can result in detectable artifacts in an MD simulation.</p>
<p>The newer styles with <em>charmmfsw</em> or <em>charmmfsh</em> in their name replace
the energy switching with force switching (fsw) and force shifting
(fsh) functions, for LJ and Coulombic interactions respectively.</p>
<div class="admonition note">
<p class="admonition-title">Note</p>
<p>The newer <em>charmmfsw</em> or <em>charmmfsh</em> styles were released in
March 2017.  We recommend they be used instead of the older <em>charmm</em>
styles.  This includes the newer <a class="reference internal" href="dihedral_charmm.html"><span class="doc">dihedral_style charmmfsw</span></a> command.  Eventually code from the new
styles will propagate into the related pair styles (e.g. implicit,
accelerator, free energy variants).</p>
</div>
<div class="admonition note">
<p class="admonition-title">Note</p>
<p>The newest CHARMM pair styles reset the Coulombic energy
conversion factor used internally in the code, from the LAMMPS value
to the CHARMM value, as if it were effectively a parameter of the
force field.  This is because the CHARMM code uses a slightly
different value for the this conversion factor in <a class="reference internal" href="units.html"><span class="doc">real units</span></a> (kcal/mol), namely CHARMM = 332.0716, LAMMPS =
332.06371.  This is to enable more precise agreement by LAMMPS with
the CHARMM force field energies and forces, when using one of these
two CHARMM pair styles.</p>
</div>
<p>When using the <em>lj/charmm/coul/charmm styles</em>, both the LJ and
Coulombic terms require an inner and outer cutoff. They can be the
same for both formulas or different depending on whether 2 or 4
arguments are used in the pair_style command.  For the
<em>lj/charmmfsw/coul/charmmfsh</em> style, the LJ term requires both an
inner and outer cutoff, while the Coulombic term requires only one
cutoff.  If the Coulombic cutoff is not specified (2 instead of 3
arguments), the LJ outer cutoff is used for the Coulombic cutoff.  In
all cases where an inner and outer cutoff are specified, the inner
cutoff distance must be less than the outer cutoff.  It is typical to
make the difference between the inner and outer cutoffs about 2.0
Angstroms.</p>
<p>Style <em>lj/charmm/coul/charmm/implicit</em> computes the same formulas as
style <em>lj/charmm/coul/charmm</em> except that an additional 1/r term is
included in the Coulombic formula.  The Coulombic energy thus varies
as 1/r^2.  This is effectively a distance-dependent dielectric term
which is a simple model for an implicit solvent with additional
screening.  It is designed for use in a simulation of an unsolvated
biomolecule (no explicit water molecules).</p>
<p>Styles <em>lj/charmm/coul/long</em> and <em>lj/charmm/coul/msm</em> compute the same
formulas as style <em>lj/charmm/coul/charmm</em> and style
<em>lj/charmmfsw/coul/long</em> computes the same formulas as style
<em>lj/charmmfsw/coul/charmmfsh</em>, except that an additional damping
factor is applied to the Coulombic term, so it can be used in
conjunction with the <a class="reference internal" href="kspace_style.html"><span class="doc">kspace_style</span></a> command and its
<em>ewald</em> or <em>pppm</em> or <em>msm</em> option.  Only one Coulombic cutoff is
specified for these styles; if only 2 arguments are used in the
pair_style command, then the outer LJ cutoff is used as the single
Coulombic cutoff.  The Coulombic cutoff specified for these styles
means that pairwise interactions within this distance are computed
directly; interactions outside that distance are computed in
reciprocal space.</p>
<p>The following coefficients must be defined for each pair of atoms
types via the <a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a> command as in the examples
above, or in the data file or restart files read by the
<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, or by mixing as described below:</p>
<ul class="simple">
<li><p><span class="math notranslate nohighlight">\(\epsilon\)</span> (energy units)</p></li>
<li><p><span class="math notranslate nohighlight">\(\sigma\)</span> (distance units)</p></li>
<li><p><span class="math notranslate nohighlight">\(\epsilon_{14}\)</span> (energy units)</p></li>
<li><p><span class="math notranslate nohighlight">\(\sigma_{14}\)</span> (distance units)</p></li>
</ul>
<p>Note that <span class="math notranslate nohighlight">\(\sigma\)</span> is defined in the LJ formula as the zero-crossing
distance for the potential, not as the energy minimum at <span class="math notranslate nohighlight">\(2^{1/6} \sigma\)</span>.</p>
<p>The latter 2 coefficients are optional.  If they are specified, they
are used in the LJ formula between two atoms of these types which are
also first and fourth atoms in any dihedral.  No cutoffs are specified
because the CHARMM force field does not allow varying cutoffs for
individual atom pairs; all pairs use the global cutoff(s) specified in
the pair_style command.</p>
<hr class="docutils" />
<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
functionally the same as the corresponding style without the suffix.
They have been optimized to run faster, depending on your available
hardware, as discussed on the <a class="reference internal" href="Speed_packages.html"><span class="doc">Accelerator packages</span></a>
page.  The accelerated styles take the same arguments and should
produce the same results, except for round-off and precision issues.</p>
<p>These accelerated styles are part of the GPU, INTEL, KOKKOS,
OPENMP, and OPT packages, respectively.  They are only enabled if
LAMMPS was built with those packages.  See the <a class="reference internal" href="Build_package.html"><span class="doc">Build package</span></a> page for more info.</p>
<p>You can specify the accelerated styles explicitly in your input script
by including their suffix, or you can use the <a class="reference internal" href="Run_options.html"><span class="doc">-suffix command-line switch</span></a> when you invoke LAMMPS, or you can use the
<a class="reference internal" href="suffix.html"><span class="doc">suffix</span></a> command in your input script.</p>
<p>See the <a class="reference internal" href="Speed_packages.html"><span class="doc">Accelerator packages</span></a> page for more
instructions on how to use the accelerated styles effectively.</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>For atom type pairs I,J and I != J, the epsilon, sigma, epsilon_14,
and sigma_14 coefficients for all of the lj/charmm pair styles can be
mixed.  The default mix value is <em>arithmetic</em> to coincide with the
usual settings for the CHARMM force field.  See the “pair_modify”
command for details.</p>
<p>None of the <em>lj/charmm</em> or <em>lj/charmmfsw</em> pair styles support the
<a class="reference internal" href="pair_modify.html"><span class="doc">pair_modify</span></a> shift option, since the Lennard-Jones
portion of the pair interaction is smoothed to 0.0 at the cutoff.</p>
<p>The <em>lj/charmm/coul/long</em> and <em>lj/charmmfsw/coul/long</em> styles support
the <a class="reference internal" href="pair_modify.html"><span class="doc">pair_modify</span></a> table option since they can
tabulate the short-range portion of the long-range Coulombic
interaction.</p>
<p>None of the <em>lj/charmm</em> or <em>lj/charmmfsw</em> pair styles support the
<a class="reference internal" href="pair_modify.html"><span class="doc">pair_modify</span></a> tail option for adding long-range tail
corrections to energy and pressure, since the Lennard-Jones portion of
the pair interaction is smoothed to 0.0 at the cutoff.</p>
<p>All of the <em>lj/charmm</em> and <em>lj/charmmfsw</em> pair styles write their
information to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>, so pair_style and
pair_coeff commands do not need to be specified in an input script
that reads a restart file.</p>
<p>The <em>lj/charmm/coul/long</em> and <em>lj/charmmfsw/coul/long</em> pair styles
support the use of the <em>inner</em>, <em>middle</em>, and <em>outer</em> keywords of the
<a class="reference internal" href="run_style.html"><span class="doc">run_style respa</span></a> command, meaning the pairwise forces
can be partitioned by distance at different levels of the rRESPA
hierarchy.  The other styles only support the <em>pair</em> keyword of
run_style respa.  See the <a class="reference internal" href="run_style.html"><span class="doc">run_style</span></a> command for
details.</p>
</section>
<hr class="docutils" />
<section id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Link to this heading"></a></h2>
<p>All the styles with <em>coul/charmm</em> or <em>coul/charmmfsh</em> styles are part
of the MOLECULE package.  All the styles with <em>coul/long</em> style are
part of the KSPACE package.  They are only enabled if LAMMPS was built
with those packages.  See the <a class="reference internal" href="Build_package.html"><span class="doc">Build package</span></a> doc
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="angle_charmm.html"><span class="doc">angle_style charmm</span></a>,
<a class="reference internal" href="dihedral_charmm.html"><span class="doc">dihedral_style charmm</span></a>,
<a class="reference internal" href="dihedral_charmm.html"><span class="doc">dihedral_style charmmfsw</span></a>, <a class="reference internal" href="fix_cmap.html"><span class="doc">fix cmap</span></a></p>
</section>
<section id="default">
<h2>Default<a class="headerlink" href="#default" title="Link to this heading"></a></h2>
<p>none</p>
<hr class="docutils" />
<p id="brooks1"><strong>(Brooks)</strong> Brooks, et al, J Comput Chem, 30, 1545 (2009).</p>
<p id="pair-mackerell"><strong>(MacKerell)</strong> MacKerell, Bashford, Bellott, Dunbrack, Evanseck, Field,
Fischer, Gao, Guo, Ha, et al, J Phys Chem, 102, 3586 (1998).</p>
<p id="steinbach"><strong>(Steinbach)</strong> Steinbach, Brooks, J Comput Chem, 15, 667 (1994).</p>
</section>
</section>


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