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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14663 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2016-02-22 23:00:59 +00:00
parent 8291f5e69c
commit f406a5ed55
34 changed files with 1565 additions and 103 deletions
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doc/Section_commands.html
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@ -1017,150 +1017,150 @@ KOKKOS, o = USER-OMP, t = OPT.</p>
<table border="1" class="docutils"> <table border="1" class="docutils">
<colgroup> <colgroup>
<col width="24%" /> <col width="24%" />
<col width="24%" />
<col width="25%" /> <col width="25%" />
<col width="27%" /> <col width="27%" />
<col width="24%" />
</colgroup> </colgroup>
<tbody valign="top"> <tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="pair_none.html"><em>none</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_none.html"><em>none</em></a></td>
<td><a class="reference internal" href="pair_zero.html"><em>zero</em></a></td>
<td><a class="reference internal" href="pair_hybrid.html"><em>hybrid</em></a></td> <td><a class="reference internal" href="pair_hybrid.html"><em>hybrid</em></a></td>
<td><a class="reference internal" href="pair_hybrid.html"><em>hybrid/overlay</em></a></td> <td><a class="reference internal" href="pair_hybrid.html"><em>hybrid/overlay</em></a></td>
<td><a class="reference internal" href="pair_adp.html"><em>adp (o)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_airebo.html"><em>airebo (o)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_adp.html"><em>adp (o)</em></a></td>
<td><a class="reference internal" href="pair_airebo.html"><em>airebo (o)</em></a></td>
<td><a class="reference internal" href="pair_beck.html"><em>beck (go)</em></a></td> <td><a class="reference internal" href="pair_beck.html"><em>beck (go)</em></a></td>
<td><a class="reference internal" href="pair_body.html"><em>body</em></a></td> <td><a class="reference internal" href="pair_body.html"><em>body</em></a></td>
<td><a class="reference internal" href="pair_bop.html"><em>bop</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_born.html"><em>born (go)</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_bop.html"><em>bop</em></a></td>
<td><a class="reference internal" href="pair_born.html"><em>born (go)</em></a></td>
<td><a class="reference internal" href="pair_born.html"><em>born/coul/long (cgo)</em></a></td> <td><a class="reference internal" href="pair_born.html"><em>born/coul/long (cgo)</em></a></td>
<td><a class="reference internal" href="pair_born.html"><em>born/coul/long/cs</em></a></td> <td><a class="reference internal" href="pair_born.html"><em>born/coul/long/cs</em></a></td>
<td><a class="reference internal" href="pair_born.html"><em>born/coul/msm (o)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_born.html"><em>born/coul/wolf (go)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_born.html"><em>born/coul/msm (o)</em></a></td>
<td><a class="reference internal" href="pair_born.html"><em>born/coul/wolf (go)</em></a></td>
<td><a class="reference internal" href="pair_brownian.html"><em>brownian (o)</em></a></td> <td><a class="reference internal" href="pair_brownian.html"><em>brownian (o)</em></a></td>
<td><a class="reference internal" href="pair_brownian.html"><em>brownian/poly (o)</em></a></td> <td><a class="reference internal" href="pair_brownian.html"><em>brownian/poly (o)</em></a></td>
<td><a class="reference internal" href="pair_buck.html"><em>buck (cgkio)</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_buck.html"><em>buck/coul/cut (cgkio)</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_buck.html"><em>buck (cgkio)</em></a></td>
<td><a class="reference internal" href="pair_buck.html"><em>buck/coul/cut (cgkio)</em></a></td>
<td><a class="reference internal" href="pair_buck.html"><em>buck/coul/long (cgkio)</em></a></td> <td><a class="reference internal" href="pair_buck.html"><em>buck/coul/long (cgkio)</em></a></td>
<td><a class="reference internal" href="pair_buck.html"><em>buck/coul/long/cs</em></a></td> <td><a class="reference internal" href="pair_buck.html"><em>buck/coul/long/cs</em></a></td>
<td><a class="reference internal" href="pair_buck.html"><em>buck/coul/msm (o)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_buck_long.html"><em>buck/long/coul/long (o)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_buck.html"><em>buck/coul/msm (o)</em></a></td>
<td><a class="reference internal" href="pair_buck_long.html"><em>buck/long/coul/long (o)</em></a></td>
<td><a class="reference internal" href="pair_colloid.html"><em>colloid (go)</em></a></td> <td><a class="reference internal" href="pair_colloid.html"><em>colloid (go)</em></a></td>
<td><a class="reference internal" href="pair_comb.html"><em>comb (o)</em></a></td> <td><a class="reference internal" href="pair_comb.html"><em>comb (o)</em></a></td>
<td><a class="reference internal" href="pair_comb.html"><em>comb3</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_coul.html"><em>coul/cut (gko)</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_comb.html"><em>comb3</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/cut (gko)</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/debye (gko)</em></a></td> <td><a class="reference internal" href="pair_coul.html"><em>coul/debye (gko)</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/dsf (gko)</em></a></td> <td><a class="reference internal" href="pair_coul.html"><em>coul/dsf (gko)</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/long (gko)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_coul.html"><em>coul/long/cs</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_coul.html"><em>coul/long (gko)</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/long/cs</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/msm</em></a></td> <td><a class="reference internal" href="pair_coul.html"><em>coul/msm</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/streitz</em></a></td> <td><a class="reference internal" href="pair_coul.html"><em>coul/streitz</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>coul/wolf (ko)</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_dpd.html"><em>dpd (o)</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_coul.html"><em>coul/wolf (ko)</em></a></td>
<td><a class="reference internal" href="pair_dpd.html"><em>dpd (o)</em></a></td>
<td><a class="reference internal" href="pair_dpd.html"><em>dpd/tstat (o)</em></a></td> <td><a class="reference internal" href="pair_dpd.html"><em>dpd/tstat (o)</em></a></td>
<td><a class="reference internal" href="pair_dsmc.html"><em>dsmc</em></a></td> <td><a class="reference internal" href="pair_dsmc.html"><em>dsmc</em></a></td>
<td><a class="reference internal" href="pair_eam.html"><em>eam (cgkot)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_eam.html"><em>eam/alloy (cgkot)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_eam.html"><em>eam (cgkot)</em></a></td>
<td><a class="reference internal" href="pair_eam.html"><em>eam/alloy (cgkot)</em></a></td>
<td><a class="reference internal" href="pair_eam.html"><em>eam/fs (cgkot)</em></a></td> <td><a class="reference internal" href="pair_eam.html"><em>eam/fs (cgkot)</em></a></td>
<td><a class="reference internal" href="pair_eim.html"><em>eim (o)</em></a></td> <td><a class="reference internal" href="pair_eim.html"><em>eim (o)</em></a></td>
<td><a class="reference internal" href="pair_gauss.html"><em>gauss (go)</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_gayberne.html"><em>gayberne (gio)</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_gauss.html"><em>gauss (go)</em></a></td>
<td><a class="reference internal" href="pair_gayberne.html"><em>gayberne (gio)</em></a></td>
<td><a class="reference internal" href="pair_gran.html"><em>gran/hertz/history (o)</em></a></td> <td><a class="reference internal" href="pair_gran.html"><em>gran/hertz/history (o)</em></a></td>
<td><a class="reference internal" href="pair_gran.html"><em>gran/hooke (co)</em></a></td> <td><a class="reference internal" href="pair_gran.html"><em>gran/hooke (co)</em></a></td>
<td><a class="reference internal" href="pair_gran.html"><em>gran/hooke/history (o)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_hbond_dreiding.html"><em>hbond/dreiding/lj (o)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_gran.html"><em>gran/hooke/history (o)</em></a></td>
<td><a class="reference internal" href="pair_hbond_dreiding.html"><em>hbond/dreiding/lj (o)</em></a></td>
<td><a class="reference internal" href="pair_hbond_dreiding.html"><em>hbond/dreiding/morse (o)</em></a></td> <td><a class="reference internal" href="pair_hbond_dreiding.html"><em>hbond/dreiding/morse (o)</em></a></td>
<td><a class="reference internal" href="pair_kim.html"><em>kim</em></a></td> <td><a class="reference internal" href="pair_kim.html"><em>kim</em></a></td>
<td><a class="reference internal" href="pair_lcbop.html"><em>lcbop</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_line_lj.html"><em>line/lj</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_lcbop.html"><em>lcbop</em></a></td>
<td><a class="reference internal" href="pair_line_lj.html"><em>line/lj</em></a></td>
<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/charmm (cko)</em></a></td> <td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/charmm (cko)</em></a></td>
<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/charmm/implicit (cko)</em></a></td> <td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/charmm/implicit (cko)</em></a></td>
<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/long (cgiko)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/msm</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/long (cgiko)</em></a></td>
<td><a class="reference internal" href="pair_charmm.html"><em>lj/charmm/coul/msm</em></a></td>
<td><a class="reference internal" href="pair_class2.html"><em>lj/class2 (cgko)</em></a></td> <td><a class="reference internal" href="pair_class2.html"><em>lj/class2 (cgko)</em></a></td>
<td><a class="reference internal" href="pair_class2.html"><em>lj/class2/coul/cut (cko)</em></a></td> <td><a class="reference internal" href="pair_class2.html"><em>lj/class2/coul/cut (cko)</em></a></td>
<td><a class="reference internal" href="pair_class2.html"><em>lj/class2/coul/long (cgko)</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_lj_cubic.html"><em>lj/cubic (go)</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_class2.html"><em>lj/class2/coul/long (cgko)</em></a></td>
<td><a class="reference internal" href="pair_lj_cubic.html"><em>lj/cubic (go)</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut (cgikot)</em></a></td> <td><a class="reference internal" href="pair_lj.html"><em>lj/cut (cgikot)</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/cut (cgko)</em></a></td> <td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/cut (cgko)</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/debye (cgko)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/dsf (gko)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/debye (cgko)</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/dsf (gko)</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/long (cgikot)</em></a></td> <td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/long (cgikot)</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/long/cs</em></a></td> <td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/long/cs</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/msm (go)</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_dipole.html"><em>lj/cut/dipole/cut (go)</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_lj.html"><em>lj/cut/coul/msm (go)</em></a></td>
<td><a class="reference internal" href="pair_dipole.html"><em>lj/cut/dipole/cut (go)</em></a></td>
<td><a class="reference internal" href="pair_dipole.html"><em>lj/cut/dipole/long</em></a></td> <td><a class="reference internal" href="pair_dipole.html"><em>lj/cut/dipole/long</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut/tip4p/cut (o)</em></a></td> <td><a class="reference internal" href="pair_lj.html"><em>lj/cut/tip4p/cut (o)</em></a></td>
<td><a class="reference internal" href="pair_lj.html"><em>lj/cut/tip4p/long (ot)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_lj_expand.html"><em>lj/expand (cgko)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_lj.html"><em>lj/cut/tip4p/long (ot)</em></a></td>
<td><a class="reference internal" href="pair_lj_expand.html"><em>lj/expand (cgko)</em></a></td>
<td><a class="reference internal" href="pair_gromacs.html"><em>lj/gromacs (cgko)</em></a></td> <td><a class="reference internal" href="pair_gromacs.html"><em>lj/gromacs (cgko)</em></a></td>
<td><a class="reference internal" href="pair_gromacs.html"><em>lj/gromacs/coul/gromacs (cko)</em></a></td> <td><a class="reference internal" href="pair_gromacs.html"><em>lj/gromacs/coul/gromacs (cko)</em></a></td>
<td><a class="reference internal" href="pair_lj_long.html"><em>lj/long/coul/long (o)</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_dipole.html"><em>lj/long/dipole/long</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_lj_long.html"><em>lj/long/coul/long (o)</em></a></td>
<td><a class="reference internal" href="pair_dipole.html"><em>lj/long/dipole/long</em></a></td>
<td><a class="reference internal" href="pair_lj_long.html"><em>lj/long/tip4p/long</em></a></td> <td><a class="reference internal" href="pair_lj_long.html"><em>lj/long/tip4p/long</em></a></td>
<td><a class="reference internal" href="pair_lj_smooth.html"><em>lj/smooth (co)</em></a></td> <td><a class="reference internal" href="pair_lj_smooth.html"><em>lj/smooth (co)</em></a></td>
<td><a class="reference internal" href="pair_lj_smooth_linear.html"><em>lj/smooth/linear (o)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_lj96.html"><em>lj96/cut (cgo)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_lj_smooth_linear.html"><em>lj/smooth/linear (o)</em></a></td>
<td><a class="reference internal" href="pair_lj96.html"><em>lj96/cut (cgo)</em></a></td>
<td><a class="reference internal" href="pair_lubricate.html"><em>lubricate (o)</em></a></td> <td><a class="reference internal" href="pair_lubricate.html"><em>lubricate (o)</em></a></td>
<td><a class="reference internal" href="pair_lubricate.html"><em>lubricate/poly (o)</em></a></td> <td><a class="reference internal" href="pair_lubricate.html"><em>lubricate/poly (o)</em></a></td>
<td><a class="reference internal" href="pair_lubricateU.html"><em>lubricateU</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_lubricateU.html"><em>lubricateU/poly</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_lubricateU.html"><em>lubricateU</em></a></td>
<td><a class="reference internal" href="pair_lubricateU.html"><em>lubricateU/poly</em></a></td>
<td><a class="reference internal" href="pair_meam.html"><em>meam (o)</em></a></td> <td><a class="reference internal" href="pair_meam.html"><em>meam (o)</em></a></td>
<td><a class="reference internal" href="pair_mie.html"><em>mie/cut (o)</em></a></td> <td><a class="reference internal" href="pair_mie.html"><em>mie/cut (o)</em></a></td>
<td><a class="reference internal" href="pair_morse.html"><em>morse (cgot)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_nb3b_harmonic.html"><em>nb3b/harmonic (o)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_morse.html"><em>morse (cgot)</em></a></td>
<td><a class="reference internal" href="pair_nb3b_harmonic.html"><em>nb3b/harmonic (o)</em></a></td>
<td><a class="reference internal" href="pair_nm.html"><em>nm/cut (o)</em></a></td> <td><a class="reference internal" href="pair_nm.html"><em>nm/cut (o)</em></a></td>
<td><a class="reference internal" href="pair_nm.html"><em>nm/cut/coul/cut (o)</em></a></td> <td><a class="reference internal" href="pair_nm.html"><em>nm/cut/coul/cut (o)</em></a></td>
<td><a class="reference internal" href="pair_nm.html"><em>nm/cut/coul/long (o)</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_peri.html"><em>peri/eps</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_nm.html"><em>nm/cut/coul/long (o)</em></a></td>
<td><a class="reference internal" href="pair_peri.html"><em>peri/eps</em></a></td>
<td><a class="reference internal" href="pair_peri.html"><em>peri/lps (o)</em></a></td> <td><a class="reference internal" href="pair_peri.html"><em>peri/lps (o)</em></a></td>
<td><a class="reference internal" href="pair_peri.html"><em>peri/pmb (o)</em></a></td> <td><a class="reference internal" href="pair_peri.html"><em>peri/pmb (o)</em></a></td>
<td><a class="reference internal" href="pair_peri.html"><em>peri/ves</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_polymorphic.html"><em>polymorphic</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_peri.html"><em>peri/ves</em></a></td>
<td><a class="reference internal" href="pair_polymorphic.html"><em>polymorphic</em></a></td>
<td><a class="reference internal" href="pair_reax.html"><em>reax</em></a></td> <td><a class="reference internal" href="pair_reax.html"><em>reax</em></a></td>
<td><a class="reference internal" href="pair_airebo.html"><em>rebo (o)</em></a></td> <td><a class="reference internal" href="pair_airebo.html"><em>rebo (o)</em></a></td>
<td><a class="reference internal" href="pair_resquared.html"><em>resquared (go)</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_snap.html"><em>snap</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_resquared.html"><em>resquared (go)</em></a></td>
<td><a class="reference internal" href="pair_snap.html"><em>snap</em></a></td>
<td><a class="reference internal" href="pair_soft.html"><em>soft (go)</em></a></td> <td><a class="reference internal" href="pair_soft.html"><em>soft (go)</em></a></td>
<td><a class="reference internal" href="pair_sw.html"><em>sw (cgkio)</em></a></td> <td><a class="reference internal" href="pair_sw.html"><em>sw (cgkio)</em></a></td>
<td><a class="reference internal" href="pair_table.html"><em>table (gko)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_tersoff.html"><em>tersoff (cgkio)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_table.html"><em>table (gko)</em></a></td>
<td><a class="reference internal" href="pair_tersoff.html"><em>tersoff (cgkio)</em></a></td>
<td><a class="reference internal" href="pair_tersoff_mod.html"><em>tersoff/mod (ko)</em></a></td> <td><a class="reference internal" href="pair_tersoff_mod.html"><em>tersoff/mod (ko)</em></a></td>
<td><a class="reference internal" href="pair_tersoff_zbl.html"><em>tersoff/zbl (ko)</em></a></td> <td><a class="reference internal" href="pair_tersoff_zbl.html"><em>tersoff/zbl (ko)</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>tip4p/cut (o)</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="pair_coul.html"><em>tip4p/long (o)</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="pair_coul.html"><em>tip4p/cut (o)</em></a></td>
<td><a class="reference internal" href="pair_coul.html"><em>tip4p/long (o)</em></a></td>
<td><a class="reference internal" href="pair_tri_lj.html"><em>tri/lj</em></a></td> <td><a class="reference internal" href="pair_tri_lj.html"><em>tri/lj</em></a></td>
<td><a class="reference internal" href="pair_vashishta.html"><em>vashishta (o)</em></a></td> <td><a class="reference internal" href="pair_vashishta.html"><em>vashishta (o)</em></a></td>
<td><a class="reference internal" href="pair_yukawa.html"><em>yukawa (go)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="pair_yukawa_colloid.html"><em>yukawa/colloid (go)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="pair_yukawa.html"><em>yukawa (go)</em></a></td>
<td><a class="reference internal" href="pair_yukawa_colloid.html"><em>yukawa/colloid (go)</em></a></td>
<td><a class="reference internal" href="pair_zbl.html"><em>zbl (go)</em></a></td> <td><a class="reference internal" href="pair_zbl.html"><em>zbl (go)</em></a></td>
<td>&nbsp;</td> <td>&nbsp;</td>
<td>&nbsp;</td>
</tr> </tr>
</tbody> </tbody>
</table> </table>
@ -1248,26 +1248,26 @@ letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.</p> KOKKOS, o = USER-OMP, t = OPT.</p>
<table border="1" class="docutils"> <table border="1" class="docutils">
<colgroup> <colgroup>
<col width="25%" />
<col width="28%" /> <col width="28%" />
<col width="25%" /> <col width="25%" />
<col width="22%" /> <col width="22%" />
<col width="25%" />
</colgroup> </colgroup>
<tbody valign="top"> <tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="bond_none.html"><em>none</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="bond_none.html"><em>none</em></a></td>
<td><a class="reference internal" href="bond_zero.html"><em>zero</em></a></td>
<td><a class="reference internal" href="bond_hybrid.html"><em>hybrid</em></a></td> <td><a class="reference internal" href="bond_hybrid.html"><em>hybrid</em></a></td>
<td><a class="reference internal" href="bond_class2.html"><em>class2 (o)</em></a></td> <td><a class="reference internal" href="bond_class2.html"><em>class2 (o)</em></a></td>
<td><a class="reference internal" href="bond_fene.html"><em>fene (ko)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="bond_fene_expand.html"><em>fene/expand (o)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="bond_fene.html"><em>fene (ko)</em></a></td>
<td><a class="reference internal" href="bond_fene_expand.html"><em>fene/expand (o)</em></a></td>
<td><a class="reference internal" href="bond_harmonic.html"><em>harmonic (ko)</em></a></td> <td><a class="reference internal" href="bond_harmonic.html"><em>harmonic (ko)</em></a></td>
<td><a class="reference internal" href="bond_morse.html"><em>morse (o)</em></a></td> <td><a class="reference internal" href="bond_morse.html"><em>morse (o)</em></a></td>
<td><a class="reference internal" href="bond_nonlinear.html"><em>nonlinear (o)</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="bond_quartic.html"><em>quartic (o)</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="bond_nonlinear.html"><em>nonlinear (o)</em></a></td>
<td><a class="reference internal" href="bond_quartic.html"><em>quartic (o)</em></a></td>
<td><a class="reference internal" href="bond_table.html"><em>table (o)</em></a></td> <td><a class="reference internal" href="bond_table.html"><em>table (o)</em></a></td>
<td>&nbsp;</td> <td>&nbsp;</td>
<td>&nbsp;</td>
</tr> </tr>
</tbody> </tbody>
</table> </table>
@ -1296,26 +1296,26 @@ letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.</p> KOKKOS, o = USER-OMP, t = OPT.</p>
<table border="1" class="docutils"> <table border="1" class="docutils">
<colgroup> <colgroup>
<col width="27%" />
<col width="21%" /> <col width="21%" />
<col width="24%" /> <col width="24%" />
<col width="28%" /> <col width="28%" />
<col width="27%" />
</colgroup> </colgroup>
<tbody valign="top"> <tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="angle_none.html"><em>none</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="angle_none.html"><em>none</em></a></td>
<td><a class="reference internal" href="angle_zero.html"><em>zero</em></a></td>
<td><a class="reference internal" href="angle_hybrid.html"><em>hybrid</em></a></td> <td><a class="reference internal" href="angle_hybrid.html"><em>hybrid</em></a></td>
<td><a class="reference internal" href="angle_charmm.html"><em>charmm (ko)</em></a></td> <td><a class="reference internal" href="angle_charmm.html"><em>charmm (ko)</em></a></td>
<td><a class="reference internal" href="angle_class2.html"><em>class2 (o)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="angle_cosine.html"><em>cosine (o)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="angle_class2.html"><em>class2 (o)</em></a></td>
<td><a class="reference internal" href="angle_cosine.html"><em>cosine (o)</em></a></td>
<td><a class="reference internal" href="angle_cosine_delta.html"><em>cosine/delta (o)</em></a></td> <td><a class="reference internal" href="angle_cosine_delta.html"><em>cosine/delta (o)</em></a></td>
<td><a class="reference internal" href="angle_cosine_periodic.html"><em>cosine/periodic (o)</em></a></td> <td><a class="reference internal" href="angle_cosine_periodic.html"><em>cosine/periodic (o)</em></a></td>
<td><a class="reference internal" href="angle_cosine_squared.html"><em>cosine/squared (o)</em></a></td>
</tr> </tr>
<tr class="row-odd"><td><a class="reference internal" href="angle_harmonic.html"><em>harmonic (iko)</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="angle_cosine_squared.html"><em>cosine/squared (o)</em></a></td>
<td><a class="reference internal" href="angle_harmonic.html"><em>harmonic (iko)</em></a></td>
<td><a class="reference internal" href="angle_table.html"><em>table (o)</em></a></td> <td><a class="reference internal" href="angle_table.html"><em>table (o)</em></a></td>
<td>&nbsp;</td> <td>&nbsp;</td>
<td>&nbsp;</td>
</tr> </tr>
</tbody> </tbody>
</table> </table>
@ -1353,21 +1353,26 @@ letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.</p> KOKKOS, o = USER-OMP, t = OPT.</p>
<table border="1" class="docutils"> <table border="1" class="docutils">
<colgroup> <colgroup>
<col width="22%" />
<col width="25%" /> <col width="25%" />
<col width="21%" /> <col width="21%" />
<col width="32%" /> <col width="32%" />
<col width="22%" />
</colgroup> </colgroup>
<tbody valign="top"> <tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="dihedral_none.html"><em>none</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="dihedral_none.html"><em>none</em></a></td>
<td><a class="reference internal" href="dihedral_zero.html"><em>zero</em></a></td>
<td><a class="reference internal" href="dihedral_hybrid.html"><em>hybrid</em></a></td> <td><a class="reference internal" href="dihedral_hybrid.html"><em>hybrid</em></a></td>
<td><a class="reference internal" href="dihedral_charmm.html"><em>charmm (ko)</em></a></td> <td><a class="reference internal" href="dihedral_charmm.html"><em>charmm (ko)</em></a></td>
<td><a class="reference internal" href="dihedral_class2.html"><em>class2 (o)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="dihedral_harmonic.html"><em>harmonic (io)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="dihedral_class2.html"><em>class2 (o)</em></a></td>
<td><a class="reference internal" href="dihedral_harmonic.html"><em>harmonic (io)</em></a></td>
<td><a class="reference internal" href="dihedral_helix.html"><em>helix (o)</em></a></td> <td><a class="reference internal" href="dihedral_helix.html"><em>helix (o)</em></a></td>
<td><a class="reference internal" href="dihedral_multi_harmonic.html"><em>multi/harmonic (o)</em></a></td> <td><a class="reference internal" href="dihedral_multi_harmonic.html"><em>multi/harmonic (o)</em></a></td>
<td><a class="reference internal" href="dihedral_opls.html"><em>opls (iko)</em></a></td> </tr>
<tr class="row-odd"><td><a class="reference internal" href="dihedral_opls.html"><em>opls (iko)</em></a></td>
<td>&nbsp;</td>
<td>&nbsp;</td>
<td>&nbsp;</td>
</tr> </tr>
</tbody> </tbody>
</table> </table>
@ -1405,21 +1410,21 @@ letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.</p> KOKKOS, o = USER-OMP, t = OPT.</p>
<table border="1" class="docutils"> <table border="1" class="docutils">
<colgroup> <colgroup>
<col width="22%" />
<col width="27%" /> <col width="27%" />
<col width="27%" /> <col width="27%" />
<col width="24%" /> <col width="24%" />
<col width="22%" />
</colgroup> </colgroup>
<tbody valign="top"> <tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="improper_none.html"><em>none</em></a></td> <tr class="row-odd"><td><a class="reference internal" href="improper_none.html"><em>none</em></a></td>
<td><a class="reference internal" href="improper_zero.html"><em>zero</em></a></td>
<td><a class="reference internal" href="improper_hybrid.html"><em>hybrid</em></a></td> <td><a class="reference internal" href="improper_hybrid.html"><em>hybrid</em></a></td>
<td><a class="reference internal" href="improper_class2.html"><em>class2 (o)</em></a></td> <td><a class="reference internal" href="improper_class2.html"><em>class2 (o)</em></a></td>
<td><a class="reference internal" href="improper_cvff.html"><em>cvff (io)</em></a></td>
</tr> </tr>
<tr class="row-even"><td><a class="reference internal" href="improper_harmonic.html"><em>harmonic (ko)</em></a></td> <tr class="row-even"><td><a class="reference internal" href="improper_cvff.html"><em>cvff (io)</em></a></td>
<td><a class="reference internal" href="improper_harmonic.html"><em>harmonic (ko)</em></a></td>
<td><a class="reference internal" href="improper_umbrella.html"><em>umbrella (o)</em></a></td> <td><a class="reference internal" href="improper_umbrella.html"><em>umbrella (o)</em></a></td>
<td>&nbsp;</td> <td>&nbsp;</td>
<td>&nbsp;</td>
</tr> </tr>
</tbody> </tbody>
</table> </table>

5
doc/Section_commands.txt
View File

@ -798,6 +798,7 @@ letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT. KOKKOS, o = USER-OMP, t = OPT.
"none"_pair_none.html, "none"_pair_none.html,
"zero"_pair_zero.html,
"hybrid"_pair_hybrid.html, "hybrid"_pair_hybrid.html,
"hybrid/overlay"_pair_hybrid.html, "hybrid/overlay"_pair_hybrid.html,
"adp (o)"_pair_adp.html, "adp (o)"_pair_adp.html,
@ -971,6 +972,7 @@ letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT. KOKKOS, o = USER-OMP, t = OPT.
"none"_bond_none.html, "none"_bond_none.html,
"zero"_bond_zero.html,
"hybrid"_bond_hybrid.html, "hybrid"_bond_hybrid.html,
"class2 (o)"_bond_class2.html, "class2 (o)"_bond_class2.html,
"fene (ko)"_bond_fene.html, "fene (ko)"_bond_fene.html,
@ -1001,6 +1003,7 @@ letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT. KOKKOS, o = USER-OMP, t = OPT.
"none"_angle_none.html, "none"_angle_none.html,
"zero"_angle_zero.html,
"hybrid"_angle_hybrid.html, "hybrid"_angle_hybrid.html,
"charmm (ko)"_angle_charmm.html, "charmm (ko)"_angle_charmm.html,
"class2 (o)"_angle_class2.html, "class2 (o)"_angle_class2.html,
@ -1036,6 +1039,7 @@ letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT. KOKKOS, o = USER-OMP, t = OPT.
"none"_dihedral_none.html, "none"_dihedral_none.html,
"zero"_dihedral_zero.html,
"hybrid"_dihedral_hybrid.html, "hybrid"_dihedral_hybrid.html,
"charmm (ko)"_dihedral_charmm.html, "charmm (ko)"_dihedral_charmm.html,
"class2 (o)"_dihedral_class2.html, "class2 (o)"_dihedral_class2.html,
@ -1067,6 +1071,7 @@ letters in parenthesis: c = USER-CUDA, g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT. KOKKOS, o = USER-OMP, t = OPT.
"none"_improper_none.html, "none"_improper_none.html,
"zero"_improper_zero.html,
"hybrid"_improper_hybrid.html, "hybrid"_improper_hybrid.html,
"class2 (o)"_improper_class2.html, "class2 (o)"_improper_class2.html,
"cvff (io)"_improper_cvff.html, "cvff (io)"_improper_cvff.html,

5
doc/angle_none.html
View File

@ -148,7 +148,10 @@ if triplets of angle atoms were listed in the data file read by the
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2> <h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2>
<blockquote> <blockquote>
<div>none</div></blockquote> <div>none</div></blockquote>
<p><strong>Related commands:</strong> none</p> </div>
<div class="section" id="related-commands">
<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline"></a></h2>
<p><a class="reference internal" href="angle_zero.html"><em>angle_style zero</em></a></p>
<p><strong>Default:</strong> none</p> <p><strong>Default:</strong> none</p>
</div> </div>
</div> </div>

4
doc/angle_none.txt
View File

@ -24,6 +24,8 @@ if triplets of angle atoms were listed in the data file read by the
[Restrictions:] none [Restrictions:] none
[Related commands:] none [Related commands:]
"angle_style zero"_angle_zero.html
[Default:] none [Default:] none

1
doc/angle_style.html
View File

@ -179,6 +179,7 @@ which are included in the LAMMPS distribution. The list of these with
links to the individual styles are given in the angle section of <a class="reference internal" href="Section_commands.html#cmd-5"><span>this page</span></a>.</p> links to the individual styles are given in the angle section of <a class="reference internal" href="Section_commands.html#cmd-5"><span>this page</span></a>.</p>
<ul class="simple"> <ul class="simple">
<li><a class="reference internal" href="angle_none.html"><em>angle_style none</em></a> - turn off angle interactions</li> <li><a class="reference internal" href="angle_none.html"><em>angle_style none</em></a> - turn off angle interactions</li>
<li><a class="reference internal" href="angle_zero.html"><em>angle_style zero</em></a> - topology but no interactions</li>
<li><a class="reference internal" href="angle_hybrid.html"><em>angle_style hybrid</em></a> - define multiple styles of angle interactions</li> <li><a class="reference internal" href="angle_hybrid.html"><em>angle_style hybrid</em></a> - define multiple styles of angle interactions</li>
<li><a class="reference internal" href="angle_charmm.html"><em>angle_style charmm</em></a> - CHARMM angle</li> <li><a class="reference internal" href="angle_charmm.html"><em>angle_style charmm</em></a> - CHARMM angle</li>
<li><a class="reference internal" href="angle_class2.html"><em>angle_style class2</em></a> - COMPASS (class 2) angle</li> <li><a class="reference internal" href="angle_class2.html"><em>angle_style class2</em></a> - COMPASS (class 2) angle</li>

1
doc/angle_style.txt
View File

@ -63,6 +63,7 @@ links to the individual styles are given in the angle section of "this
page"_Section_commands.html#cmd_5. page"_Section_commands.html#cmd_5.
"angle_style none"_angle_none.html - turn off angle interactions "angle_style none"_angle_none.html - turn off angle interactions
"angle_style zero"_angle_zero.html - topology but no interactions
"angle_style hybrid"_angle_hybrid.html - define multiple styles of angle interactions :ul "angle_style hybrid"_angle_hybrid.html - define multiple styles of angle interactions :ul
"angle_style charmm"_angle_charmm.html - CHARMM angle "angle_style charmm"_angle_charmm.html - CHARMM angle

229
doc/angle_zero.html Normal file
View File

@ -0,0 +1,229 @@
<!DOCTYPE html>
<!--[if IE 8]><html class="no-js lt-ie9" lang="en" > <![endif]-->
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<title>angle_style zero command &mdash; LAMMPS documentation</title>
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<link rel="stylesheet" href="_static/sphinxcontrib-images/LightBox2/lightbox2/css/lightbox.css" type="text/css" />
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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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<div class="section" id="angle-style-zero-command">
<span id="index-0"></span><h1>angle_style zero command<a class="headerlink" href="#angle-style-zero-command" title="Permalink to this headline"></a></h1>
<div class="section" id="syntax">
<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>angle_style zero
</pre></div>
</div>
</div>
<div class="section" id="examples">
<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>angle_style zero
angle_coeff *
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2>
<p>Using an angle style of zero means angle forces and energies are not
computed, but the geometry of angle triplets is still accessible to
other commands.</p>
<p>As an example, the <a class="reference internal" href="compute_angle_local.html"><em>compute angle/local</em></a>
command can be used to compute the theta values for the list of
triplets of angle atoms listed in the data file read by the
<a class="reference internal" href="read_data.html"><em>read_data</em></a> command. If no angle style is defined,
this command cannot be used.</p>
<p>Note that the <a class="reference internal" href="angle_coeff.html"><em>angle_coeff</em></a> command must be used for
all angle types, though no additional values are specified.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2>
<blockquote>
<div>none</div></blockquote>
</div>
<div class="section" id="related-commands">
<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline"></a></h2>
<p><a class="reference internal" href="angle_none.html"><em>angle_style none</em></a></p>
<p><strong>Default:</strong> none</p>
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41
doc/angle_zero.txt Normal file
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@ -0,0 +1,41 @@
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
angle_style zero command :h3
[Syntax:]
angle_style zero :pre
[Examples:]
angle_style zero
angle_coeff * :pre
[Description:]
Using an angle style of zero means angle forces and energies are not
computed, but the geometry of angle triplets is still accessible to
other commands.
As an example, the "compute angle/local"_compute_angle_local.html
command can be used to compute the theta values for the list of
triplets of angle atoms listed in the data file read by the
"read_data"_read_data.html command. If no angle style is defined,
this command cannot be used.
Note that the "angle_coeff"_angle_coeff.html command must be used for
all angle types, though no additional values are specified.
[Restrictions:] none
[Related commands:]
"angle_style none"_angle_none.html
[Default:] none

9
doc/bond_none.html
View File

@ -140,15 +140,18 @@
</div> </div>
<div class="section" id="description"> <div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2> <h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2>
<p>Using a bond style of none means bond forces are not computed, even if <p>Using a bond style of none means bond forces and energies are not
pairs of bonded atoms were listed in the data file read by the computed, even if pairs of bonded atoms were listed in the data file
<a class="reference internal" href="read_data.html"><em>read_data</em></a> command.</p> read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a> command.</p>
<p>See the <a class="reference internal" href="bond_zero.html"><em>bond_style zero</em></a> command for a way to
calculate bond statistics, but compute no bond interactions.</p>
</div> </div>
<div class="section" id="restrictions"> <div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2> <h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2>
<blockquote> <blockquote>
<div>none</div></blockquote> <div>none</div></blockquote>
<p><strong>Related commands:</strong> none</p> <p><strong>Related commands:</strong> none</p>
<p><a class="reference internal" href="bond_zero.html"><em>bond_style zero</em></a></p>
<p><strong>Default:</strong> none</p> <p><strong>Default:</strong> none</p>
</div> </div>
</div> </div>

11
doc/bond_none.txt
View File

@ -18,12 +18,17 @@ bond_style none :pre
[Description:] [Description:]
Using a bond style of none means bond forces are not computed, even if Using a bond style of none means bond forces and energies are not
pairs of bonded atoms were listed in the data file read by the computed, even if pairs of bonded atoms were listed in the data file
"read_data"_read_data.html command. read by the "read_data"_read_data.html command.
See the "bond_style zero"_bond_zero.html command for a way to
calculate bond statistics, but compute no bond interactions.
[Restrictions:] none [Restrictions:] none
[Related commands:] none [Related commands:] none
"bond_style zero"_bond_zero.html
[Default:] none [Default:] none

1
doc/bond_style.html
View File

@ -189,6 +189,7 @@ which are included in the LAMMPS distribution. The list of these with
links to the individual styles are given in the bond section of <a class="reference internal" href="Section_commands.html#cmd-5"><span>this page</span></a>.</p> links to the individual styles are given in the bond section of <a class="reference internal" href="Section_commands.html#cmd-5"><span>this page</span></a>.</p>
<ul class="simple"> <ul class="simple">
<li><a class="reference internal" href="bond_none.html"><em>bond_style none</em></a> - turn off bonded interactions</li> <li><a class="reference internal" href="bond_none.html"><em>bond_style none</em></a> - turn off bonded interactions</li>
<li><a class="reference internal" href="bond_zero.html"><em>bond_style zero</em></a> - topology but no interactions</li>
<li><a class="reference internal" href="bond_hybrid.html"><em>bond_style hybrid</em></a> - define multiple styles of bond interactions</li> <li><a class="reference internal" href="bond_hybrid.html"><em>bond_style hybrid</em></a> - define multiple styles of bond interactions</li>
<li><a class="reference internal" href="bond_class2.html"><em>bond_style class2</em></a> - COMPASS (class 2) bond</li> <li><a class="reference internal" href="bond_class2.html"><em>bond_style class2</em></a> - COMPASS (class 2) bond</li>
<li><a class="reference internal" href="bond_fene.html"><em>bond_style fene</em></a> - FENE (finite-extensible non-linear elastic) bond</li> <li><a class="reference internal" href="bond_fene.html"><em>bond_style fene</em></a> - FENE (finite-extensible non-linear elastic) bond</li>

1
doc/bond_style.txt
View File

@ -71,6 +71,7 @@ links to the individual styles are given in the bond section of "this
page"_Section_commands.html#cmd_5. page"_Section_commands.html#cmd_5.
"bond_style none"_bond_none.html - turn off bonded interactions "bond_style none"_bond_none.html - turn off bonded interactions
"bond_style zero"_bond_zero.html - topology but no interactions
"bond_style hybrid"_bond_hybrid.html - define multiple styles of bond interactions :ul "bond_style hybrid"_bond_hybrid.html - define multiple styles of bond interactions :ul
"bond_style class2"_bond_class2.html - COMPASS (class 2) bond "bond_style class2"_bond_class2.html - COMPASS (class 2) bond

228
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@ -0,0 +1,228 @@
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<!--[if IE 8]><html class="no-js lt-ie9" lang="en" > <![endif]-->
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<div class="section" id="bond-style-zero-command">
<span id="index-0"></span><h1>bond_style zero command<a class="headerlink" href="#bond-style-zero-command" title="Permalink to this headline"></a></h1>
<div class="section" id="syntax">
<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>bond_style zero
</pre></div>
</div>
</div>
<div class="section" id="examples">
<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>bond_style zero
bond_coeff *
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2>
<p>Using an bond style of zero means bond forces and energies are not
computed, but the geometry of bond pairs is still accessible to other
commands.</p>
<p>As an example, the <a class="reference internal" href="compute_bond_local.html"><em>compute bond/local</em></a>
command can be used to compute distances for the list of pairs of bond
atoms listed in the data file read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a>
command. If no bond style is defined, this command cannot be used.</p>
<p>Note that the <a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a> command must be used for
all bond types, though no additional values are specified.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2>
<blockquote>
<div>none</div></blockquote>
</div>
<div class="section" id="related-commands">
<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline"></a></h2>
<p><a class="reference internal" href="bond_none.html"><em>bond_style none</em></a></p>
<p><strong>Default:</strong> none</p>
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40
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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
bond_style zero command :h3
[Syntax:]
bond_style zero :pre
[Examples:]
bond_style zero
bond_coeff * :pre
[Description:]
Using an bond style of zero means bond forces and energies are not
computed, but the geometry of bond pairs is still accessible to other
commands.
As an example, the "compute bond/local"_compute_bond_local.html
command can be used to compute distances for the list of pairs of bond
atoms listed in the data file read by the "read_data"_read_data.html
command. If no bond style is defined, this command cannot be used.
Note that the "bond_coeff"_bond_coeff.html command must be used for
all bond types, though no additional values are specified.
[Restrictions:] none
[Related commands:]
"bond_style none"_bond_none.html
[Default:] none

11
doc/dihedral_none.html
View File

@ -140,15 +140,20 @@
</div> </div>
<div class="section" id="description"> <div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2> <h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2>
<p>Using an dihedral style of none means dihedral forces are not <p>Using a dihedral style of none means dihedral forces and energies are
computed, even if quadruplets of dihedral atoms were listed in the not computed, even if quadruplets of dihedral atoms were listed in the
data file read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a> command.</p> data file read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a> command.</p>
<p>See the <a class="reference internal" href="dihedral_zero.html"><em>dihedral_style zero</em></a> command for a way to
calculate dihedral statistics, but compute no dihedral interactions.</p>
</div> </div>
<div class="section" id="restrictions"> <div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2> <h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2>
<blockquote> <blockquote>
<div>none</div></blockquote> <div>none</div></blockquote>
<p><strong>Related commands:</strong> none</p> </div>
<div class="section" id="related-commands">
<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline"></a></h2>
<p><a class="reference internal" href="dihedral_zero.html"><em>dihedral_style zero</em></a></p>
<p><strong>Default:</strong> none</p> <p><strong>Default:</strong> none</p>
</div> </div>
</div> </div>

11
doc/dihedral_none.txt
View File

@ -18,12 +18,17 @@ dihedral_style none :pre
[Description:] [Description:]
Using an dihedral style of none means dihedral forces are not Using a dihedral style of none means dihedral forces and energies are
computed, even if quadruplets of dihedral atoms were listed in the not computed, even if quadruplets of dihedral atoms were listed in the
data file read by the "read_data"_read_data.html command. data file read by the "read_data"_read_data.html command.
See the "dihedral_style zero"_dihedral_zero.html command for a way to
calculate dihedral statistics, but compute no dihedral interactions.
[Restrictions:] none [Restrictions:] none
[Related commands:] none [Related commands:]
"dihedral_style zero"_dihedral_zero.html
[Default:] none [Default:] none

1
doc/dihedral_style.html
View File

@ -203,6 +203,7 @@ links to the individual styles are given in the dihedral section of
<ul class="simple"> <ul class="simple">
<li><a class="reference internal" href="dihedral_none.html"><em>dihedral_style none</em></a> - turn off dihedral interactions</li> <li><a class="reference internal" href="dihedral_none.html"><em>dihedral_style none</em></a> - turn off dihedral interactions</li>
<li><a class="reference internal" href="dihedral_hybrid.html"><em>dihedral_style hybrid</em></a> - define multiple styles of dihedral interactions</li> <li><a class="reference internal" href="dihedral_hybrid.html"><em>dihedral_style hybrid</em></a> - define multiple styles of dihedral interactions</li>
<li><a class="reference internal" href="dihedral_zero.html"><em>dihedral_style zero</em></a> - topology but no interactions</li>
<li><a class="reference internal" href="dihedral_charmm.html"><em>dihedral_style charmm</em></a> - CHARMM dihedral</li> <li><a class="reference internal" href="dihedral_charmm.html"><em>dihedral_style charmm</em></a> - CHARMM dihedral</li>
<li><a class="reference internal" href="dihedral_class2.html"><em>dihedral_style class2</em></a> - COMPASS (class 2) dihedral</li> <li><a class="reference internal" href="dihedral_class2.html"><em>dihedral_style class2</em></a> - COMPASS (class 2) dihedral</li>
<li><a class="reference internal" href="dihedral_harmonic.html"><em>dihedral_style harmonic</em></a> - harmonic dihedral</li> <li><a class="reference internal" href="dihedral_harmonic.html"><em>dihedral_style harmonic</em></a> - harmonic dihedral</li>

3
doc/dihedral_style.txt
View File

@ -86,7 +86,8 @@ links to the individual styles are given in the dihedral section of
"this page"_Section_commands.html#cmd_5. "this page"_Section_commands.html#cmd_5.
"dihedral_style none"_dihedral_none.html - turn off dihedral interactions "dihedral_style none"_dihedral_none.html - turn off dihedral interactions
"dihedral_style hybrid"_dihedral_hybrid.html - define multiple styles of dihedral interactions :ul "dihedral_style hybrid"_dihedral_hybrid.html - define multiple styles of dihedral interactions
"dihedral_style zero"_dihedral_zero.html - topology but no interactions :ul
"dihedral_style charmm"_dihedral_charmm.html - CHARMM dihedral "dihedral_style charmm"_dihedral_charmm.html - CHARMM dihedral
"dihedral_style class2"_dihedral_class2.html - COMPASS (class 2) dihedral "dihedral_style class2"_dihedral_class2.html - COMPASS (class 2) dihedral

227
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@ -0,0 +1,227 @@
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<div class="section" id="dihedral-style-zero-command">
<span id="index-0"></span><h1>dihedral_style zero command<a class="headerlink" href="#dihedral-style-zero-command" title="Permalink to this headline"></a></h1>
<div class="section" id="syntax">
<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>dihedral_style zero
</pre></div>
</div>
</div>
<div class="section" id="examples">
<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>dihedral_style zero
dihedral_coeff *
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2>
<p>Using a dihedral style of zero means dihedral forces and energies are
not computed, but the geometry of dihedral quadruplets is still
accessible to other commands.</p>
<p>As an example, the <a class="reference internal" href="compute_dihedral_local.html"><em>compute dihedral/local</em></a> command can be used to
compute the theta values for the list of quadruplets of dihderal atoms
listed in the data file read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a>
command. If no dihedral style is defined, this command cannot be used.</p>
<p>Note that the <a class="reference internal" href="dihedral_coeff.html"><em>dihedral_coeff</em></a> command must be
used for all dihedral types, though no additional values are
specified.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2>
<blockquote>
<div>none</div></blockquote>
<p><strong>Related commands:</strong> none</p>
<p><a class="reference internal" href="dihedral_none.html"><em>dihedral_style none</em></a></p>
<p><strong>Default:</strong> none</p>
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42
doc/dihedral_zero.txt Normal file
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@ -0,0 +1,42 @@
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
dihedral_style zero command :h3
[Syntax:]
dihedral_style zero :pre
[Examples:]
dihedral_style zero
dihedral_coeff * :pre
[Description:]
Using a dihedral style of zero means dihedral forces and energies are
not computed, but the geometry of dihedral quadruplets is still
accessible to other commands.
As an example, the "compute
dihedral/local"_compute_dihedral_local.html command can be used to
compute the theta values for the list of quadruplets of dihderal atoms
listed in the data file read by the "read_data"_read_data.html
command. If no dihedral style is defined, this command cannot be used.
Note that the "dihedral_coeff"_dihedral_coeff.html command must be
used for all dihedral types, though no additional values are
specified.
[Restrictions:] none
[Related commands:] none
"dihedral_style none"_dihedral_none.html
[Default:] none

24
doc/genindex.html
View File

@ -234,6 +234,10 @@
</dt> </dt>
<dt><a href="angle_zero.html#index-0">angle_style zero</a>
</dt>
<dt><a href="atom_modify.html#index-0">atom_modify</a> <dt><a href="atom_modify.html#index-0">atom_modify</a>
</dt> </dt>
@ -310,6 +314,10 @@
</dt> </dt>
<dt><a href="bond_zero.html#index-0">bond_style zero</a>
</dt>
<dt><a href="boundary.html#index-0">boundary</a> <dt><a href="boundary.html#index-0">boundary</a>
</dt> </dt>
@ -835,12 +843,12 @@
<dt><a href="dihedral_multi_harmonic.html#index-0">dihedral_style multi/harmonic</a> <dt><a href="dihedral_multi_harmonic.html#index-0">dihedral_style multi/harmonic</a>
</dt> </dt>
</dl></td>
<td style="width: 33%" valign="top"><dl>
<dt><a href="dihedral_nharmonic.html#index-0">dihedral_style nharmonic</a> <dt><a href="dihedral_nharmonic.html#index-0">dihedral_style nharmonic</a>
</dt> </dt>
</dl></td>
<td style="width: 33%" valign="top"><dl>
<dt><a href="dihedral_none.html#index-0">dihedral_style none</a> <dt><a href="dihedral_none.html#index-0">dihedral_style none</a>
</dt> </dt>
@ -858,6 +866,10 @@
</dt> </dt>
<dt><a href="dihedral_zero.html#index-0">dihedral_style zero</a>
</dt>
<dt><a href="dimension.html#index-0">dimension</a> <dt><a href="dimension.html#index-0">dimension</a>
</dt> </dt>
@ -1548,6 +1560,10 @@
</dt> </dt>
<dt><a href="improper_zero.html#index-0">improper_style zero</a>
</dt>
<dt><a href="include.html#index-0">include</a> <dt><a href="include.html#index-0">include</a>
</dt> </dt>
@ -2030,6 +2046,10 @@
</dt> </dt>
<dt><a href="pair_zero.html#index-0">pair_style zero</a>
</dt>
<dt><a href="pair_write.html#index-0">pair_write</a> <dt><a href="pair_write.html#index-0">pair_write</a>
</dt> </dt>

11
doc/improper_none.html
View File

@ -140,15 +140,20 @@
</div> </div>
<div class="section" id="description"> <div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2> <h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2>
<p>Using an improper style of none means improper forces are not <p>Using an improper style of none means imroper forces and energies are
computed, even if quadruplets of improper atoms were listed in the not computed, even if quadruplets of improper atoms were listed in the
data file read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a> command.</p> data file read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a> command.</p>
<p>See the <a class="reference internal" href="improper_zero.html"><em>improper_style zero</em></a> command for a way to
calculate improper statistics, but compute no improper interactions.</p>
</div> </div>
<div class="section" id="restrictions"> <div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2> <h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2>
<blockquote> <blockquote>
<div>none</div></blockquote> <div>none</div></blockquote>
<p><strong>Related commands:</strong> none</p> </div>
<div class="section" id="related-commands">
<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline"></a></h2>
<p><a class="reference internal" href="improper_zero.html"><em>improper_style zero</em></a></p>
<p><strong>Default:</strong> none</p> <p><strong>Default:</strong> none</p>
</div> </div>
</div> </div>

11
doc/improper_none.txt
View File

@ -18,12 +18,17 @@ improper_style none :pre
[Description:] [Description:]
Using an improper style of none means improper forces are not Using an improper style of none means imroper forces and energies are
computed, even if quadruplets of improper atoms were listed in the not computed, even if quadruplets of improper atoms were listed in the
data file read by the "read_data"_read_data.html command. data file read by the "read_data"_read_data.html command.
See the "improper_style zero"_improper_zero.html command for a way to
calculate improper statistics, but compute no improper interactions.
[Restrictions:] none [Restrictions:] none
[Related commands:] none [Related commands:]
"improper_style zero"_improper_zero.html
[Default:] none [Default:] none

1
doc/improper_style.html
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@ -184,6 +184,7 @@ links to the individual styles are given in the improper section of
<a class="reference internal" href="Section_commands.html#cmd-5"><span>this page</span></a>.</p> <a class="reference internal" href="Section_commands.html#cmd-5"><span>this page</span></a>.</p>
<ul class="simple"> <ul class="simple">
<li><a class="reference internal" href="improper_none.html"><em>improper_style none</em></a> - turn off improper interactions</li> <li><a class="reference internal" href="improper_none.html"><em>improper_style none</em></a> - turn off improper interactions</li>
<li><a class="reference internal" href="improper_zero.html"><em>improper_style zero</em></a> - topology but no interactions</li>
<li><a class="reference internal" href="improper_hybrid.html"><em>improper_style hybrid</em></a> - define multiple styles of improper interactions</li> <li><a class="reference internal" href="improper_hybrid.html"><em>improper_style hybrid</em></a> - define multiple styles of improper interactions</li>
<li><a class="reference internal" href="improper_class2.html"><em>improper_style class2</em></a> - COMPASS (class 2) improper</li> <li><a class="reference internal" href="improper_class2.html"><em>improper_style class2</em></a> - COMPASS (class 2) improper</li>
<li><a class="reference internal" href="improper_cvff.html"><em>improper_style cvff</em></a> - CVFF improper</li> <li><a class="reference internal" href="improper_cvff.html"><em>improper_style cvff</em></a> - CVFF improper</li>

1
doc/improper_style.txt
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@ -65,6 +65,7 @@ links to the individual styles are given in the improper section of
"this page"_Section_commands.html#cmd_5. "this page"_Section_commands.html#cmd_5.
"improper_style none"_improper_none.html - turn off improper interactions "improper_style none"_improper_none.html - turn off improper interactions
"improper_style zero"_improper_zero.html - topology but no interactions
"improper_style hybrid"_improper_hybrid.html - define multiple styles of improper interactions :ul "improper_style hybrid"_improper_hybrid.html - define multiple styles of improper interactions :ul
"improper_style class2"_improper_class2.html - COMPASS (class 2) improper "improper_style class2"_improper_class2.html - COMPASS (class 2) improper

228
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@ -0,0 +1,228 @@
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<div class="section" id="improper-style-zero-command">
<span id="index-0"></span><h1>improper_style zero command<a class="headerlink" href="#improper-style-zero-command" title="Permalink to this headline"></a></h1>
<div class="section" id="syntax">
<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>improper_style zero
</pre></div>
</div>
</div>
<div class="section" id="examples">
<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>improper_style zero
improper_coeff *
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2>
<p>Using an improper style of zero means improper forces and energies are
not computed, but the geometry of improper quadruplets is still
accessible to other commands.</p>
<p>As an example, the <a class="reference internal" href="compute_improper_local.html"><em>compute improper/local</em></a> command can be used to
compute the chi values for the list of quadruplets of improper atoms
listed in the data file read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a>
command. If no improper style is defined, this command cannot be
used.</p>
<p>Note that the <a class="reference internal" href="improper_coeff.html"><em>improper_coeff</em></a> command must be
used for all improper types, though no additional values are
specified.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2>
<blockquote>
<div>none</div></blockquote>
<p><strong>Related commands:</strong> none</p>
<p><a class="reference internal" href="improper_none.html"><em>improper_style none</em></a></p>
<p><strong>Default:</strong> none</p>
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43
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@ -0,0 +1,43 @@
"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
improper_style zero command :h3
[Syntax:]
improper_style zero :pre
[Examples:]
improper_style zero
improper_coeff * :pre
[Description:]
Using an improper style of zero means improper forces and energies are
not computed, but the geometry of improper quadruplets is still
accessible to other commands.
As an example, the "compute
improper/local"_compute_improper_local.html command can be used to
compute the chi values for the list of quadruplets of improper atoms
listed in the data file read by the "read_data"_read_data.html
command. If no improper style is defined, this command cannot be
used.
Note that the "improper_coeff"_improper_coeff.html command must be
used for all improper types, though no additional values are
specified.
[Restrictions:] none
[Related commands:] none
"improper_style none"_improper_none.html
[Default:] none

7
doc/pair_none.html
View File

@ -152,12 +152,17 @@ data structures for binning are still allocated. If the neighbor skin
distance is small, then these data structures can consume a large distance is small, then these data structures can consume a large
amount of memory. So you should either set the neighbor style to amount of memory. So you should either set the neighbor style to
<em>nsq</em> or set the skin distance to a larger value.</p> <em>nsq</em> or set the skin distance to a larger value.</p>
<p>See the <a class="reference internal" href="pair_zero.html"><em>pair_style zero</em></a> for a way to trigger the
building of a neighbor lists, but compute no pairwise interactions.</p>
</div> </div>
<div class="section" id="restrictions"> <div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2> <h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2>
<blockquote> <blockquote>
<div>none</div></blockquote> <div>none</div></blockquote>
<p><strong>Related commands:</strong> none</p> </div>
<div class="section" id="related-commands">
<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline"></a></h2>
<p><a class="reference internal" href="pair_zero.html"><em>pair_style zero</em></a></p>
<p><strong>Default:</strong> none</p> <p><strong>Default:</strong> none</p>
</div> </div>
</div> </div>

7
doc/pair_none.txt
View File

@ -33,8 +33,13 @@ distance is small, then these data structures can consume a large
amount of memory. So you should either set the neighbor style to amount of memory. So you should either set the neighbor style to
{nsq} or set the skin distance to a larger value. {nsq} or set the skin distance to a larger value.
See the "pair_style zero"_pair_zero.html for a way to trigger the
building of a neighbor lists, but compute no pairwise interactions.
[Restrictions:] none [Restrictions:] none
[Related commands:] none [Related commands:]
"pair_style zero"_pair_zero.html
[Default:] none [Default:] none

1
doc/pair_style.html
View File

@ -208,6 +208,7 @@ in the pair section of <a class="reference internal" href="Section_commands.html
<li><a class="reference internal" href="pair_none.html"><em>pair_style none</em></a> - turn off pairwise interactions</li> <li><a class="reference internal" href="pair_none.html"><em>pair_style none</em></a> - turn off pairwise interactions</li>
<li><a class="reference internal" href="pair_hybrid.html"><em>pair_style hybrid</em></a> - multiple styles of pairwise interactions</li> <li><a class="reference internal" href="pair_hybrid.html"><em>pair_style hybrid</em></a> - multiple styles of pairwise interactions</li>
<li><a class="reference internal" href="pair_hybrid.html"><em>pair_style hybrid/overlay</em></a> - multiple styles of superposed pairwise interactions</li> <li><a class="reference internal" href="pair_hybrid.html"><em>pair_style hybrid/overlay</em></a> - multiple styles of superposed pairwise interactions</li>
<li><a class="reference internal" href="pair_zero.html"><em>pair_style zero</em></a> - neighbor list but no interactions</li>
<li><a class="reference internal" href="pair_adp.html"><em>pair_style adp</em></a> - angular dependent potential (ADP) of Mishin</li> <li><a class="reference internal" href="pair_adp.html"><em>pair_style adp</em></a> - angular dependent potential (ADP) of Mishin</li>
<li><a class="reference internal" href="pair_airebo.html"><em>pair_style airebo</em></a> - AIREBO potential of Stuart</li> <li><a class="reference internal" href="pair_airebo.html"><em>pair_style airebo</em></a> - AIREBO potential of Stuart</li>
<li><a class="reference internal" href="pair_beck.html"><em>pair_style beck</em></a> - Beck potential</li> <li><a class="reference internal" href="pair_beck.html"><em>pair_style beck</em></a> - Beck potential</li>

3
doc/pair_style.txt
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@ -97,7 +97,8 @@ in the pair section of "this page"_Section_commands.html#cmd_5.
"pair_style none"_pair_none.html - turn off pairwise interactions "pair_style none"_pair_none.html - turn off pairwise interactions
"pair_style hybrid"_pair_hybrid.html - multiple styles of pairwise interactions "pair_style hybrid"_pair_hybrid.html - multiple styles of pairwise interactions
"pair_style hybrid/overlay"_pair_hybrid.html - multiple styles of superposed pairwise interactions :ul "pair_style hybrid/overlay"_pair_hybrid.html - multiple styles of superposed pairwise interactions
"pair_style zero"_pair_zero.html - neighbor list but no interactions :ul
"pair_style adp"_pair_adp.html - angular dependent potential (ADP) of Mishin "pair_style adp"_pair_adp.html - angular dependent potential (ADP) of Mishin
"pair_style airebo"_pair_airebo.html - AIREBO potential of Stuart "pair_style airebo"_pair_airebo.html - AIREBO potential of Stuart

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<div class="section" id="pair-style-zero-command">
<span id="index-0"></span><h1>pair_style zero command<a class="headerlink" href="#pair-style-zero-command" title="Permalink to this headline"></a></h1>
<div class="section" id="syntax">
<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>pair_style zero cutoff
</pre></div>
</div>
<ul class="simple">
<li>zero = style name of this pair style
cutoff = global cutoff (distance units)</li>
</ul>
</div>
<div class="section" id="examples">
<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline"></a></h2>
<div class="highlight-python"><div class="highlight"><pre>pair_style zero
pair_coeff * *
pair_coeff 1 2 3.0
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline"></a></h2>
<p>Define a global cutoff length for the purpose of building a neighbor
list and acquiring ghost atoms, but do not compute any pairwise
forces.</p>
<p>This can be useful for fixes or computes which require a neighbor list
to enumerate pairs of atoms within some cutoff distance, but when
pairwise forces are not otherwise needed. Examples are the <a class="reference internal" href="fix_bond_create.html"><em>fix bond/create</em></a>, <a class="reference internal" href="compute_rdf.html"><em>compute rdf</em></a>,
<a class="reference internal" href="compute_voronoi_atom.html"><em>compute voronoi/atom</em></a> commands.</p>
<p>Note that the <a class="reference internal" href="comm_modify.html"><em>comm_modify cutoff</em></a> command can be
used to insure communication of ghost atoms even when a pair style is
not defined, but it will not trigger neighbor list generation.</p>
<p>The following coefficients must be defined for each pair of atoms
types via the <a class="reference internal" href="pair_coeff.html"><em>pair_coeff</em></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"><em>read_data</em></a> or <a class="reference internal" href="read_restart.html"><em>read_restart</em></a>
commands, or by mixing as described below:</p>
<ul class="simple">
<li>cutoff (distance units)</li>
</ul>
<p>This coefficient is optional. If not specified, the global cutoff
specified in the pair_style command is used.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline"></a></h2>
<blockquote>
<div>none</div></blockquote>
</div>
<div class="section" id="related-commands">
<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline"></a></h2>
<p><a class="reference internal" href="pair_none.html"><em>pair_style none</em></a></p>
<p><strong>Default:</strong> none</p>
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"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
pair_style zero command :h3
[Syntax:]
pair_style zero cutoff :pre
zero = style name of this pair style
cutoff = global cutoff (distance units) :l
[Examples:]
pair_style zero
pair_coeff * *
pair_coeff 1 2 3.0 :pre
[Description:]
Define a global cutoff length for the purpose of building a neighbor
list and acquiring ghost atoms, but do not compute any pairwise
forces.
This can be useful for fixes or computes which require a neighbor list
to enumerate pairs of atoms within some cutoff distance, but when
pairwise forces are not otherwise needed. Examples are the "fix
bond/create"_fix_bond_create.html, "compute rdf"_compute_rdf.html,
"compute voronoi/atom"_compute_voronoi_atom.html commands.
Note that the "comm_modify cutoff"_comm_modify.html command can be
used to insure communication of ghost atoms even when a pair style is
not defined, but it will not trigger neighbor list generation.
The following coefficients must be defined for each pair of atoms
types via the "pair_coeff"_pair_coeff.html command as in the examples
above, or in the data file or restart files read by the
"read_data"_read_data.html or "read_restart"_read_restart.html
commands, or by mixing as described below:
cutoff (distance units) :ul
This coefficient is optional. If not specified, the global cutoff
specified in the pair_style command is used.
[Restrictions:] none
[Related commands:]
"pair_style none"_pair_none.html
[Default:] none

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