forked from lijiext/lammps
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787 lines
69 KiB
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<title>pair_style sw command — LAMMPS documentation</title>
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<a href="Manual.html" class="icon icon-home"> LAMMPS
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<p class="caption"><span class="caption-text">User Documentation</span></p>
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<ul>
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<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_packages.html">4. Packages</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_example.html">7. Example problems</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying & extending LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_python.html">11. Python interface to LAMMPS</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_errors.html">12. Errors</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_history.html">13. Future and history</a></li>
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</ul>
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<p class="caption"><span class="caption-text">Index</span></p>
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<ul class="current">
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<li class="toctree-l1"><a class="reference internal" href="tutorials.html">Tutorials</a></li>
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<li class="toctree-l1"><a class="reference internal" href="commands.html">Commands</a></li>
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<li class="toctree-l1"><a class="reference internal" href="fixes.html">Fixes</a></li>
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<li class="toctree-l1"><a class="reference internal" href="computes.html">Computes</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_adp.html#pair-style-adp-omp-command">pair_style adp/omp 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-omp-command">pair_style airebo/omp 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-airebo-morse-omp-command">pair_style airebo/morse/omp 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_airebo.html#pair-style-rebo-omp-command">pair_style rebo/omp 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_beck.html#pair-style-beck-gpu-command">pair_style beck/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_beck.html#pair-style-beck-omp-command">pair_style beck/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_body.html">pair_style body 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-omp-command">pair_style born/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-gpu-command">pair_style born/gpu 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-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_born.html#pair-style-born-coul-long-gpu-command">pair_style born/coul/long/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-long-omp-command">pair_style born/coul/long/omp 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-msm-omp-command">pair_style born/coul/msm/omp 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-wolf-gpu-command">pair_style born/coul/wolf/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_born.html#pair-style-born-coul-wolf-omp-command">pair_style born/coul/wolf/omp 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-omp-command">pair_style brownian/omp 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_brownian.html#pair-style-brownian-poly-omp-command">pair_style brownian/poly/omp 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-gpu-command">pair_style buck/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-intel-command">pair_style buck/intel command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-kk-command">pair_style buck/kk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-omp-command">pair_style buck/omp 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-cut-gpu-command">pair_style buck/coul/cut/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-intel-command">pair_style buck/coul/cut/intel command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-kk-command">pair_style buck/coul/cut/kk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-cut-omp-command">pair_style buck/coul/cut/omp 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-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_buck.html#pair-style-buck-coul-long-gpu-command">pair_style buck/coul/long/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-intel-command">pair_style buck/coul/long/intel command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-kk-command">pair_style buck/coul/long/kk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_buck.html#pair-style-buck-coul-long-omp-command">pair_style buck/coul/long/omp 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_buck.html#pair-style-buck-coul-msm-omp-command">pair_style buck/coul/msm/omp 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_buck_long.html#pair-style-buck-long-coul-long-omp-command">pair_style buck/long/coul/long/omp 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-omp-command">pair_style lj/charmm/coul/charmm/omp 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-charmm-implicit-omp-command">pair_style lj/charmm/coul/charmm/implicit/omp 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-long-gpu-command">pair_style lj/charmm/coul/long/gpu 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-intel-command">pair_style lj/charmm/coul/long/intel 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-opt-command">pair_style lj/charmm/coul/long/opt 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-omp-command">pair_style lj/charmm/coul/long/omp 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-charmm-coul-msm-omp-command">pair_style lj/charmm/coul/msm/omp 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-gpu-command">pair_style lj/class2/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-kk-command">pair_style lj/class2/kk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_class2.html#pair-style-lj-class2-omp-command">pair_style lj/class2/omp 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-cut-kk-command">pair_style lj/class2/coul/cut/kk 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-omp-command">pair_style lj/class2/coul/cut/omp 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_class2.html#pair-style-lj-class2-coul-long-gpu-command">pair_style lj/class2/coul/long/gpu 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-kk-command">pair_style lj/class2/coul/long/kk 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-omp-command">pair_style lj/class2/coul/long/omp 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_colloid.html#pair-style-colloid-gpu-command">pair_style colloid/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_colloid.html#pair-style-colloid-omp-command">pair_style colloid/omp 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-comb-omp-command">pair_style comb/omp 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_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-gpu-command">pair_style coul/cut/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-kk-command">pair_style coul/cut/kk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-cut-omp-command">pair_style coul/cut/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-command">pair_style coul/debye command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-gpu-command">pair_style coul/debye/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-kk-command">pair_style coul/debye/kk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-debye-omp-command">pair_style coul/debye/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-command">pair_style coul/dsf command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-gpu-command">pair_style coul/dsf/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-kk-command">pair_style coul/dsf/kk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-dsf-omp-command">pair_style coul/dsf/omp command</a></li>
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<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-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_coul.html#pair-style-coul-long-omp-command">pair_style coul/long/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-gpu-command">pair_style coul/long/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-long-kk-command">pair_style coul/long/kk 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-msm-omp-command">pair_style coul/msm/omp 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-coul-wolf-kk-command">pair_style coul/wolf/kk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-coul-wolf-omp-command">pair_style coul/wolf/omp 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.html#pair-style-tip4p-cut-omp-command">pair_style tip4p/cut/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_coul.html#pair-style-tip4p-long-omp-command">pair_style tip4p/long/omp 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_diel.html#pair-style-coul-diel-omp-command">pair_style coul/diel/omp 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</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_dipole.html">pair_style lj/cut/dipole/cut command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-gpu-command">pair_style lj/cut/dipole/cut/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-cut-dipole-cut-omp-command">pair_style lj/cut/dipole/cut/omp command</a></li>
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<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>
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|
<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-gpu-command">pair_style lj/sf/dipole/sf/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_dipole.html#pair-style-lj-sf-dipole-sf-omp-command">pair_style lj/sf/dipole/sf/omp command</a></li>
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<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>
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<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>
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<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html">pair_style dpd command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-gpu-command">pair_style dpd/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-omp-command">pair_style dpd/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-command">pair_style dpd/tstat command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-gpu-command">pair_style dpd/tstat/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_dpd.html#pair-style-dpd-tstat-omp-command">pair_style dpd/tstat/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_dpd_fdt.html">pair_style dpd/fdt command</a></li>
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<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>
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<li class="toctree-l2"><a class="reference internal" href="pair_dsmc.html">pair_style dsmc command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_eam.html">pair_style eam command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-gpu-command">pair_style eam/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-kk-command">pair_style eam/kk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-omp-command">pair_style eam/omp command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-opt-command">pair_style eam/opt command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-command">pair_style eam/alloy command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-gpu-command">pair_style eam/alloy/gpu command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-kk-command">pair_style eam/alloy/kk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-omp-command">pair_style eam/alloy/omp command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-alloy-opt-command">pair_style eam/alloy/opt 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>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-cd-omp-command">pair_style eam/cd/omp 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-fs-gpu-command">pair_style eam/fs/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-kk-command">pair_style eam/fs/kk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-omp-command">pair_style eam/fs/omp command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_eam.html#pair-style-eam-fs-opt-command">pair_style eam/fs/opt command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_edip.html">pair_style edip command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_eff.html">pair_style eff/cut command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_eim.html">pair_style eim command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_eim.html#pair-style-eim-omp-command">pair_style eim/omp 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_gauss.html">pair_style gauss command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-gpu-command">pair_style gauss/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_gauss.html#pair-style-gauss-omp-command">pair_style gauss/omp 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_gauss.html#pair-style-gauss-cut-omp-command">pair_style gauss/cut/omp 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_gayberne.html#pair-style-gayberne-gpu-command">pair_style gayberne/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-intel-command">pair_style gayberne/intel command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_gayberne.html#pair-style-gayberne-omp-command">pair_style gayberne/omp command</a></li>
|
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<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-omp-command">pair_style gran/omp 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>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hooke-history-omp-command">pair_style gran/hooke/history/omp 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>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_gran.html#pair-style-gran-hertz-history-omp-command">pair_style gran/hertz/history/omp 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-gpu-command">pair_style lj/gromacs/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_gromacs.html#pair-style-lj-gromacs-omp-command">pair_style lj/gromacs/omp 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_gromacs.html#pair-style-lj-gromacs-coul-gromacs-omp-command">pair_style lj/gromacs/coul/gromacs/omp command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html">pair_style hbond/dreiding/lj command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-lj-omp-command">pair_style hbond/dreiding/lj/omp command</a></li>
|
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<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>
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<li class="toctree-l2"><a class="reference internal" href="pair_hbond_dreiding.html#pair-style-hbond-dreiding-morse-omp-command">pair_style hbond/dreiding/morse/omp command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html">pair_style hybrid command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_hybrid.html#pair-style-hybrid-omp-command">pair_style hybrid/omp 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-overlay-omp-command">pair_style hybrid/overlay/omp 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_lcbop.html">pair_style lcbop 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_lj.html#pair-style-lj-cut-gpu-command">pair_style lj/cut/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-intel-command">pair_style lj/cut/intel command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-kk-command">pair_style lj/cut/kk command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-opt-command">pair_style lj/cut/opt command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-omp-command">pair_style lj/cut/omp command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-command">pair_style lj/cut/coul/cut command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-gpu-command">pair_style lj/cut/coul/cut/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-cut-omp-command">pair_style lj/cut/coul/cut/omp command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-command">pair_style lj/cut/coul/debye command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-gpu-command">pair_style lj/cut/coul/debye/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-kk-command">pair_style lj/cut/coul/debye/kk command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-debye-omp-command">pair_style lj/cut/coul/debye/omp command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-command">pair_style lj/cut/coul/dsf command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-gpu-command">pair_style lj/cut/coul/dsf/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-kk-command">pair_style lj/cut/coul/dsf/kk command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-dsf-omp-command">pair_style lj/cut/coul/dsf/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-command">pair_style lj/cut/coul/long command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.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_lj.html#pair-style-lj-cut-coul-long-gpu-command">pair_style lj/cut/coul/long/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-intel-command">pair_style lj/cut/coul/long/intel command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-opt-command">pair_style lj/cut/coul/long/opt command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-long-omp-command">pair_style lj/cut/coul/long/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-command">pair_style lj/cut/coul/msm command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-gpu-command">pair_style lj/cut/coul/msm/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-coul-msm-omp-command">pair_style lj/cut/coul/msm/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-command">pair_style lj/cut/tip4p/cut command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-cut-omp-command">pair_style lj/cut/tip4p/cut/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-command">pair_style lj/cut/tip4p/long command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-omp-command">pair_style lj/cut/tip4p/long/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj.html#pair-style-lj-cut-tip4p-long-opt-command">pair_style lj/cut/tip4p/long/opt command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html">pair_style lj96/cut command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-gpu-command">pair_style lj96/cut/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj96.html#pair-style-lj96-cut-omp-command">pair_style lj96/cut/omp command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html">pair_style lj/cubic command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-gpu-command">pair_style lj/cubic/gpu command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_cubic.html#pair-style-lj-cubic-omp-command">pair_style lj/cubic/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html">pair_style lj/expand command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-gpu-command">pair_style lj/expand/gpu command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_expand.html#pair-style-lj-expand-omp-command">pair_style lj/expand/omp command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html">pair_style lj/long/coul/long command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-omp-command">pair_style lj/long/coul/long/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_long.html#pair-style-lj-long-coul-long-opt-command">pair_style lj/long/coul/long/opt command</a></li>
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<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>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html">pair_style lj/sf command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_sf.html#pair-style-lj-sf-omp-command">pair_style lj/sf/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html">pair_style lj/smooth command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth.html#pair-style-lj-smooth-omp-command">pair_style lj/smooth/omp command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html">pair_style lj/smooth/linear command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_smooth_linear.html#pair-style-lj-smooth-linear-omp-command">pair_style lj/smooth/linear/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html">pair_style lj/cut/soft command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-soft-omp-command">pair_style lj/cut/soft/omp command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-command">pair_style lj/cut/coul/cut/soft command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-cut-soft-omp-command">pair_style lj/cut/coul/cut/soft/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-command">pair_style lj/cut/coul/long/soft command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_lj_soft.html#pair-style-lj-cut-coul-long-soft-omp-command">pair_style lj/cut/coul/long/soft/omp command</a></li>
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|
<li class="toctree-l2"><a class="reference internal" href="pair_lj_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_lj_soft.html#pair-style-lj-cut-tip4p-long-soft-omp-command">pair_style lj/cut/tip4p/long/soft/omp command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_lj_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_lj_soft.html#pair-style-lj-charmm-coul-long-soft-omp-command">pair_style lj/charmm/coul/long/soft/omp command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_lj_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_lj_soft.html#pair-style-coul-cut-soft-omp-command">pair_style coul/cut/soft/omp command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_lj_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_lj_soft.html#pair-style-coul-long-soft-omp-command">pair_style coul/long/soft/omp command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_lj_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_lj_soft.html#pair-style-tip4p-long-soft-omp-command">pair_style tip4p/long/soft/omp 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-omp-command">pair_style lubricate/omp 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_lubricate.html#pair-style-lubricate-poly-omp-command">pair_style lubricate/poly/omp 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_spline.html">pair_style meam/spline</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html#pair-style-meam-sw-spline-omp">pair_style meam/sw/spline/omp</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_mie.html#pair-style-mie-cut-gpu-command">pair_style mie/cut/gpu 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-gpu-command">pair_style morse/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-omp-command">pair_style morse/omp command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-opt-command">pair_style morse/opt 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_morse.html#pair-style-morse-smooth-linear-omp-command">pair_style morse/smooth/linear/omp command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_morse.html#pair-style-morse-soft-command">pair_style morse/soft 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_harmonic.html">pair_style nb3b/harmonic command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_nb3b_harmonic.html#pair-style-nb3b-harmonic-omp-command">pair_style nb3b/harmonic/omp 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-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_nm.html#pair-style-nm-cut-omp-command">pair_style nm/cut/omp command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-cut-omp-command">pair_style nm/cut/coul/cut/omp command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_nm.html#pair-style-nm-cut-coul-long-omp-command">pair_style nm/cut/coul/long/omp 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_peri.html">pair_style peri/pmb command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_peri.html#pair-style-peri-pmb-omp-command">pair_style peri/pmb/omp 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-lps-omp-command">pair_style peri/lps/omp 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_polymorphic.html">pair_style polymorphic 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_reax.html">pair_style reax command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html">pair_style reax/c command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_reax_c.html#pair-style-reax-c-kk-command">pair_style reax/c/kk 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_resquared.html#pair-style-resquared-gpu-command">pair_style resquared/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_resquared.html#pair-style-resquared-omp-command">pair_style resquared/omp command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html">pair_style lj/sdk command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-gpu-command">pair_style lj/sdk/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-kk-command">pair_style lj/sdk/kk command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-omp-command">pair_style lj/sdk/omp command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-command">pair_style lj/sdk/coul/long command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-gpu-command">pair_style lj/sdk/coul/long/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_sdk.html#pair-style-lj-sdk-coul-long-omp-command">pair_style lj/sdk/coul/long/omp 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_soft.html#pair-style-soft-gpu-command">pair_style soft/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="pair_soft.html#pair-style-soft-omp-command">pair_style soft/omp 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_srp.html">pair_style srp command</a></li>
|
|
<li class="toctree-l2 current"><a class="current reference internal" href="#">pair_style sw command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="#pair-style-sw-gpu-command">pair_style sw/gpu command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="#pair-style-sw-intel-command">pair_style sw/intel command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="#pair-style-sw-kk-command">pair_style sw/kk command</a></li>
|
|
<li class="toctree-l2"><a class="reference internal" href="#pair-style-sw-omp-command">pair_style sw/omp command</a><ul>
|
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<li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
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<li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
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<li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
|
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<li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
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<li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
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</ul>
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</li>
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<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.html#pair-style-table-gpu-command">pair_style table/gpu command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-kk-command">pair_style table/kk command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_table.html#pair-style-table-omp-command">pair_style table/omp command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_table_rx.html">pair_style table/rx command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html">pair_style tersoff command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-command">pair_style tersoff/table command</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-gpu">pair_style tersoff/gpu</a></li>
|
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-intel">pair_style tersoff/intel</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-kk">pair_style tersoff/kk</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-omp">pair_style tersoff/omp</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff.html#pair-style-tersoff-table-omp-command">pair_style tersoff/table/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html">pair_style tersoff/mod command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-gpu-command">pair_style tersoff/mod/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-kk-command">pair_style tersoff/mod/kk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_mod.html#pair-style-tersoff-mod-omp-command">pair_style tersoff/mod/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html">pair_style tersoff/zbl command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-gpu-command">pair_style tersoff/zbl/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-kk-command">pair_style tersoff/zbl/kk command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_tersoff_zbl.html#pair-style-tersoff-zbl-omp-command">pair_style tersoff/zbl/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_thole.html">pair_style thole command</a></li>
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<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>
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<li class="toctree-l2"><a class="reference internal" href="pair_thole.html#pair-style-lj-cut-thole-long-omp-command">pair_style lj/cut/thole/long/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_tri_lj.html">pair_style tri/lj command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html">pair_style vashishta command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-omp-command">pair_style vashishta/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-command">pair_style vashishta/table command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_vashishta.html#pair-style-vashishta-table-omp-command">pair_style vashishta/table/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html">pair_style yukawa command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-gpu-command">pair_style yukawa/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_yukawa.html#pair-style-yukawa-omp-command">pair_style yukawa/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html">pair_style yukawa/colloid command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-gpu-command">pair_style yukawa/colloid/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_yukawa_colloid.html#pair-style-yukawa-colloid-omp-command">pair_style yukawa/colloid/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html">pair_style zbl command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-gpu-command">pair_style zbl/gpu command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_zbl.html#pair-style-zbl-omp-command">pair_style zbl/omp command</a></li>
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<li class="toctree-l2"><a class="reference internal" href="pair_zero.html">pair_style zero command</a></li>
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</ul>
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</li>
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<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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<div class="section" id="pair-style-sw-command">
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<span id="index-0"></span><h1>pair_style sw command</h1>
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</div>
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<div class="section" id="pair-style-sw-gpu-command">
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<h1>pair_style sw/gpu command</h1>
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</div>
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<div class="section" id="pair-style-sw-intel-command">
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<h1>pair_style sw/intel command</h1>
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</div>
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<div class="section" id="pair-style-sw-kk-command">
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<h1>pair_style sw/kk command</h1>
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</div>
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<div class="section" id="pair-style-sw-omp-command">
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<h1>pair_style sw/omp command</h1>
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<div class="section" id="syntax">
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<h2>Syntax</h2>
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<pre class="literal-block">
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pair_style sw
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</pre>
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</div>
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<div class="section" id="examples">
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<h2>Examples</h2>
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<pre class="literal-block">
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pair_style sw
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pair_coeff * * si.sw Si
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pair_coeff * * GaN.sw Ga N Ga
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</pre>
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</div>
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<div class="section" id="description">
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<h2>Description</h2>
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<p>The <em>sw</em> style computes a 3-body <a class="reference internal" href="#stillinger"><span class="std std-ref">Stillinger-Weber</span></a>
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potential for the energy E of a system of atoms as</p>
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<img alt="_images/pair_sw.jpg" class="align-center" src="_images/pair_sw.jpg" />
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<p>where phi2 is a two-body term and phi3 is a three-body term. The
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summations in the formula are over all neighbors J and K of atom I
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within a cutoff distance = a*sigma.</p>
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<p>Only a single pair_coeff command is used with the <em>sw</em> style which
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specifies a Stillinger-Weber potential file with parameters for all
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needed elements. These are mapped to LAMMPS atom types by specifying
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N additional arguments after the filename in the pair_coeff command,
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where N is the number of LAMMPS atom types:</p>
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<ul class="simple">
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<li>filename</li>
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<li>N element names = mapping of SW elements to atom types</li>
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</ul>
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<p>See the <a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a> doc page for alternate ways
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to specify the path for the potential file.</p>
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<p>As an example, imagine a file SiC.sw has Stillinger-Weber values for
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Si and C. If your LAMMPS simulation has 4 atoms types and you want
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the 1st 3 to be Si, and the 4th to be C, you would use the following
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pair_coeff command:</p>
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<pre class="literal-block">
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|
pair_coeff * * SiC.sw Si Si Si C
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</pre>
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<p>The 1st 2 arguments must be * * so as to span all LAMMPS atom types.
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The first three Si arguments map LAMMPS atom types 1,2,3 to the Si
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element in the SW file. The final C argument maps LAMMPS atom type 4
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to the C element in the SW file. If a mapping value is specified as
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NULL, the mapping is not performed. This can be used when a <em>sw</em>
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|
potential is used as part of the <em>hybrid</em> pair style. The NULL values
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|
are placeholders for atom types that will be used with other
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|
potentials.</p>
|
|
<p>Stillinger-Weber files in the <em>potentials</em> directory of the LAMMPS
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|
distribution have a ”.sw” suffix. Lines that are not blank or
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|
comments (starting with #) define parameters for a triplet of
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|
elements. The parameters in a single entry correspond to the two-body
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|
and three-body coefficients in the formula above:</p>
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|
<ul class="simple">
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|
<li>element 1 (the center atom in a 3-body interaction)</li>
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|
<li>element 2</li>
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|
<li>element 3</li>
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<li>epsilon (energy units)</li>
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|
<li>sigma (distance units)</li>
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|
<li>a</li>
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|
<li>lambda</li>
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<li>gamma</li>
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<li>costheta0</li>
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<li>A</li>
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<li>B</li>
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<li>p</li>
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<li>q</li>
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<li>tol</li>
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</ul>
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|
<p>The A, B, p, and q parameters are used only for two-body
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|
interactions. The lambda and costheta0 parameters are used only for
|
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three-body interactions. The epsilon, sigma and a parameters are used
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|
for both two-body and three-body interactions. gamma is used only in the
|
|
three-body interactions, but is defined for pairs of atoms.
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The non-annotated parameters are unitless.</p>
|
|
<p>LAMMPS introduces an additional performance-optimization parameter tol
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|
that is used for both two-body and three-body interactions. In the
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Stillinger-Weber potential, the interaction energies become negligibly
|
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small at atomic separations substantially less than the theoretical
|
|
cutoff distances. LAMMPS therefore defines a virtual cutoff distance
|
|
based on a user defined tolerance tol. The use of the virtual cutoff
|
|
distance in constructing atom neighbor lists can significantly reduce
|
|
the neighbor list sizes and therefore the computational cost. LAMMPS
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|
provides a <em>tol</em> value for each of the three-body entries so that they
|
|
can be separately controlled. If tol = 0.0, then the standard
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|
Stillinger-Weber cutoff is used.</p>
|
|
<p>The Stillinger-Weber potential file must contain entries for all the
|
|
elements listed in the pair_coeff command. It can also contain
|
|
entries for additional elements not being used in a particular
|
|
simulation; LAMMPS ignores those entries.</p>
|
|
<p>For a single-element simulation, only a single entry is required
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|
(e.g. SiSiSi). For a two-element simulation, the file must contain 8
|
|
entries (for SiSiSi, SiSiC, SiCSi, SiCC, CSiSi, CSiC, CCSi, CCC), that
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|
specify SW parameters for all permutations of the two elements
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|
interacting in three-body configurations. Thus for 3 elements, 27
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|
entries would be required, etc.</p>
|
|
<p>As annotated above, the first element in the entry is the center atom
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|
in a three-body interaction. Thus an entry for SiCC means a Si atom
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|
with 2 C atoms as neighbors. The parameter values used for the
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|
two-body interaction come from the entry where the 2nd and 3rd
|
|
elements are the same. Thus the two-body parameters for Si
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|
interacting with C, comes from the SiCC entry. The three-body
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|
parameters can in principle be specific to the three elements of the
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|
configuration. In the literature, however, the three-body parameters
|
|
are usually defined by simple formulas involving two sets of pair-wise
|
|
parameters, corresponding to the ij and ik pairs, where i is the
|
|
center atom. The user must ensure that the correct combining rule is
|
|
used to calculate the values of the threebody parameters for
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|
alloys. Note also that the function phi3 contains two exponential
|
|
screening factors with parameter values from the ij pair and ik
|
|
pairs. So phi3 for a C atom bonded to a Si atom and a second C atom
|
|
will depend on the three-body parameters for the CSiC entry, and also
|
|
on the two-body parameters for the CCC and CSiSi entries. Since the
|
|
order of the two neighbors is arbitrary, the threebody parameters for
|
|
entries CSiC and CCSi should be the same. Similarly, the two-body
|
|
parameters for entries SiCC and CSiSi should also be the same. The
|
|
parameters used only for two-body interactions (A, B, p, and q) in
|
|
entries whose 2nd and 3rd element are different (e.g. SiCSi) are not
|
|
used for anything and can be set to 0.0 if desired.
|
|
This is also true for the parameters in phi3 that are
|
|
taken from the ij and ik pairs (sigma, a, gamma)</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 in <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a>
|
|
of the manual. 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, USER-INTEL, KOKKOS,
|
|
USER-OMP and OPT packages, respectively. They are only enabled if
|
|
LAMMPS was built with those packages. See the <a class="reference internal" href="Section_start.html#start-3"><span class="std std-ref">Making LAMMPS</span></a> section for more info.</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="Section_start.html#start-7"><span class="std std-ref">-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>When using the USER-INTEL package with this style, there is an
|
|
additional 5 to 10 percent performance improvement when the
|
|
Stillinger-Weber parameters p and q are set to 4 and 0 respectively.
|
|
These parameters are common for modeling silicon and water.</p>
|
|
<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section 5</span></a> of the manual for
|
|
more instructions on how to use the accelerated styles effectively.</p>
|
|
<hr class="docutils" />
|
|
<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
|
|
<p>For atom type pairs I,J and I != J, where types I and J correspond to
|
|
two different element types, mixing is performed by LAMMPS as
|
|
described above from values in the potential file.</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>
|
|
</div>
|
|
<hr class="docutils" />
|
|
<div class="section" id="restrictions">
|
|
<h2>Restrictions</h2>
|
|
<p>This pair style is part of the MANYBODY package. It is only enabled
|
|
if LAMMPS was built with that package (which it is by default). See
|
|
the <a class="reference internal" href="Section_start.html#start-3"><span class="std std-ref">Making LAMMPS</span></a> section for more info.</p>
|
|
<p>This pair style requires the <a class="reference internal" href="newton.html"><span class="doc">newton</span></a> setting to be “on”
|
|
for pair interactions.</p>
|
|
<p>The Stillinger-Weber potential files provided with LAMMPS (see the
|
|
potentials directory) are parameterized for metal <a class="reference internal" href="units.html"><span class="doc">units</span></a>.
|
|
You can use the SW potential with any LAMMPS units, but you would need
|
|
to create your own SW potential file with coefficients listed in the
|
|
appropriate units if your simulation doesn’t use “metal” units.</p>
|
|
</div>
|
|
<div class="section" id="related-commands">
|
|
<h2>Related commands</h2>
|
|
<p><a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a></p>
|
|
<p><strong>Default:</strong> none</p>
|
|
<hr class="docutils" />
|
|
<p id="stillinger"><strong>(Stillinger)</strong> Stillinger and Weber, Phys Rev B, 31, 5262 (1985).</p>
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