mirror of https://github.com/lammps/lammps.git
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7178 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
sjplimp
parent
cb5b707c74
commit
326c40feaa
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@ -341,12 +341,12 @@ of each style or click on the style itself for a full description:
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<TR ALIGN="center"><TD ><A HREF = "fix_efield.html">efield</A></TD><TD ><A HREF = "fix_enforce2d.html">enforce2d</A></TD><TD ><A HREF = "fix_evaporate.html">evaporate</A></TD><TD ><A HREF = "fix_external.html">external</A></TD><TD ><A HREF = "fix_freeze.html">freeze</A></TD><TD ><A HREF = "fix_gcmc.html">gcmc</A></TD><TD ><A HREF = "fix_gravity.html">gravity</A></TD><TD ><A HREF = "fix_heat.html">heat</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_indent.html">indent</A></TD><TD ><A HREF = "fix_langevin.html">langevin</A></TD><TD ><A HREF = "fix_lineforce.html">lineforce</A></TD><TD ><A HREF = "fix_momentum.html">momentum</A></TD><TD ><A HREF = "fix_move.html">move</A></TD><TD ><A HREF = "fix_msst.html">msst</A></TD><TD ><A HREF = "fix_neb.html">neb</A></TD><TD ><A HREF = "fix_nh.html">nph</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_nphug.html">nphug</A></TD><TD ><A HREF = "fix_nph_asphere.html">nph/asphere</A></TD><TD ><A HREF = "fix_nph_sphere.html">nph/sphere</A></TD><TD ><A HREF = "fix_nh.html">npt</A></TD><TD ><A HREF = "fix_npt_asphere.html">npt/asphere</A></TD><TD ><A HREF = "fix_npt_sphere.html">npt/sphere</A></TD><TD ><A HREF = "fix_nve.html">nve</A></TD><TD ><A HREF = "fix_nve_asphere.html">nve/asphere</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_nve_limit.html">nve/limit</A></TD><TD ><A HREF = "fix_nve_line.html">nve/line</A></TD><TD ><A HREF = "fix_nve_noforce.html">nve/noforce</A></TD><TD ><A HREF = "fix_nve_sphere.html">nve/sphere</A></TD><TD ><A HREF = "fix_nve_tri.html">nve/tri</A></TD><TD ><A HREF = "fix_nh.html">nvt</A></TD><TD ><A HREF = "fix_nvt_asphere.html">nvt/asphere</A></TD><TD ><A HREF = "fix_nvt_sllod.html">nvt/sllod</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_nvt_sphere.html">nvt/sphere</A></TD><TD ><A HREF = "fix_orient_fcc.html">orient/fcc</A></TD><TD ><A HREF = "fix_planeforce.html">planeforce</A></TD><TD ><A HREF = "fix_poems.html">poems</A></TD><TD ><A HREF = "fix_pour.html">pour</A></TD><TD ><A HREF = "fix_press_berendsen.html">press/berendsen</A></TD><TD ><A HREF = "fix_print.html">print</A></TD><TD ><A HREF = "fix_qeq_comb.html">qeq/comb</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_reax_bonds.html">reax/bonds</A></TD><TD ><A HREF = "fix_recenter.html">recenter</A></TD><TD ><A HREF = "fix_restrain.html">restrain</A></TD><TD ><A HREF = "fix_rigid.html">rigid</A></TD><TD ><A HREF = "fix_rigid.html">rigid/nve</A></TD><TD ><A HREF = "fix_rigid.html">rigid/nvt</A></TD><TD ><A HREF = "fix_setforce.html">setforce</A></TD><TD ><A HREF = "fix_shake.html">shake</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_spring.html">spring</A></TD><TD ><A HREF = "fix_spring_rg.html">spring/rg</A></TD><TD ><A HREF = "fix_spring_self.html">spring/self</A></TD><TD ><A HREF = "fix_srd.html">srd</A></TD><TD ><A HREF = "fix_store_force.html">store/force</A></TD><TD ><A HREF = "fix_store_state.html">store/state</A></TD><TD ><A HREF = "fix_temp_berendsen.html">temp/berendsen</A></TD><TD ><A HREF = "fix_temp_rescale.html">temp/rescale</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_thermal_conductivity.html">thermal/conductivity</A></TD><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_ttm.html">ttm</A></TD><TD ><A HREF = "fix_viscosity.html">viscosity</A></TD><TD ><A HREF = "fix_viscous.html">viscous</A></TD><TD ><A HREF = "fix_wall.html">wall/colloid</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD><TD ><A HREF = "fix_wall.html">wall/harmonic</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_wall.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall.html">wall/lj93</A></TD><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD><TD ><A HREF = "fix_wall_region.html">wall/region</A></TD><TD ><A HREF = "fix_wall_srd.html">wall/srd</A>
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<TR ALIGN="center"><TD ><A HREF = "fix_nve_asphere_noforce.html">nve/asphere/noforce</A></TD><TD ><A HREF = "fix_nve_limit.html">nve/limit</A></TD><TD ><A HREF = "fix_nve_line.html">nve/line</A></TD><TD ><A HREF = "fix_nve_noforce.html">nve/noforce</A></TD><TD ><A HREF = "fix_nve_sphere.html">nve/sphere</A></TD><TD ><A HREF = "fix_nve_tri.html">nve/tri</A></TD><TD ><A HREF = "fix_nh.html">nvt</A></TD><TD ><A HREF = "fix_nvt_asphere.html">nvt/asphere</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_nvt_sllod.html">nvt/sllod</A></TD><TD ><A HREF = "fix_nvt_sphere.html">nvt/sphere</A></TD><TD ><A HREF = "fix_orient_fcc.html">orient/fcc</A></TD><TD ><A HREF = "fix_planeforce.html">planeforce</A></TD><TD ><A HREF = "fix_poems.html">poems</A></TD><TD ><A HREF = "fix_pour.html">pour</A></TD><TD ><A HREF = "fix_press_berendsen.html">press/berendsen</A></TD><TD ><A HREF = "fix_print.html">print</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_qeq_comb.html">qeq/comb</A></TD><TD ><A HREF = "fix_reax_bonds.html">reax/bonds</A></TD><TD ><A HREF = "fix_recenter.html">recenter</A></TD><TD ><A HREF = "fix_restrain.html">restrain</A></TD><TD ><A HREF = "fix_rigid.html">rigid</A></TD><TD ><A HREF = "fix_rigid.html">rigid/nve</A></TD><TD ><A HREF = "fix_rigid.html">rigid/nvt</A></TD><TD ><A HREF = "fix_setforce.html">setforce</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_shake.html">shake</A></TD><TD ><A HREF = "fix_spring.html">spring</A></TD><TD ><A HREF = "fix_spring_rg.html">spring/rg</A></TD><TD ><A HREF = "fix_spring_self.html">spring/self</A></TD><TD ><A HREF = "fix_srd.html">srd</A></TD><TD ><A HREF = "fix_store_force.html">store/force</A></TD><TD ><A HREF = "fix_store_state.html">store/state</A></TD><TD ><A HREF = "fix_temp_berendsen.html">temp/berendsen</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_temp_rescale.html">temp/rescale</A></TD><TD ><A HREF = "fix_thermal_conductivity.html">thermal/conductivity</A></TD><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_ttm.html">ttm</A></TD><TD ><A HREF = "fix_viscosity.html">viscosity</A></TD><TD ><A HREF = "fix_viscous.html">viscous</A></TD><TD ><A HREF = "fix_wall.html">wall/colloid</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "fix_wall.html">wall/harmonic</A></TD><TD ><A HREF = "fix_wall.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall.html">wall/lj93</A></TD><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD><TD ><A HREF = "fix_wall_region.html">wall/region</A></TD><TD ><A HREF = "fix_wall_srd.html">wall/srd</A>
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</TD></TR></TABLE></DIV>
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<P>These are fix styles contributed by users, which can be used if
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@ -413,21 +413,22 @@ potentials. Click on the style itself for a full description:
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</P>
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<DIV ALIGN=center><TABLE BORDER=1 >
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<TR ALIGN="center"><TD ><A HREF = "pair_none.html">none</A></TD><TD ><A HREF = "pair_hybrid.html">hybrid</A></TD><TD ><A HREF = "pair_hybrid.html">hybrid/overlay</A></TD><TD ><A HREF = "pair_adp.html">adp</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_airebo.html">airebo</A></TD><TD ><A HREF = "pair_born.html">born</A></TD><TD ><A HREF = "pair_born.html">born/coul/long</A></TD><TD ><A HREF = "pair_buck.html">buck</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_buck.html">buck/coul/cut</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long</A></TD><TD ><A HREF = "pair_colloid.html">colloid</A></TD><TD ><A HREF = "pair_comb.html">comb</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/cut</A></TD><TD ><A HREF = "pair_coul.html">coul/debye</A></TD><TD ><A HREF = "pair_coul.html">coul/long</A></TD><TD ><A HREF = "pair_dipole.html">dipole/cut</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_dpd.html">dpd</A></TD><TD ><A HREF = "pair_dpd.html">dpd/tstat</A></TD><TD ><A HREF = "pair_dsmc.html">dsmc</A></TD><TD ><A HREF = "pair_eam.html">eam</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eam.html">eam/alloy</A></TD><TD ><A HREF = "pair_eam.html">eam/fs</A></TD><TD ><A HREF = "pair_eim.html">eim</A></TD><TD ><A HREF = "pair_gauss.html">gauss</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_gayberne.html">gayberne</A></TD><TD ><A HREF = "pair_gran.html">gran/hertz/history</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/history</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/lj</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/morse</A></TD><TD ><A HREF = "pair_line_lj.html">line/lj</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long</A></TD><TD ><A HREF = "pair_class2.html">lj/class2</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/tip4p</A></TD><TD ><A HREF = "pair_lj_expand.html">lj/expand</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth</A></TD><TD ><A HREF = "pair_lj96.html">lj96/cut</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_meam.html">meam</A></TD><TD ><A HREF = "pair_morse.html">morse</A></TD><TD ><A HREF = "pair_peri.html">peri/lps</A></TD><TD ><A HREF = "pair_peri.html">peri/pmb</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_reax.html">reax</A></TD><TD ><A HREF = "pair_airebo.html">rebo</A></TD><TD ><A HREF = "pair_resquared.html">resquared</A></TD><TD ><A HREF = "pair_soft.html">soft</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_sw.html">sw</A></TD><TD ><A HREF = "pair_table.html">table</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff</A></TD><TD ><A HREF = "pair_tersoff_zbl.html">tersoff/zbl</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_tri_lj.html">tri/lj</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa</A></TD><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid</A>
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<TR ALIGN="center"><TD ><A HREF = "pair_airebo.html">airebo</A></TD><TD ><A HREF = "pair_born.html">born</A></TD><TD ><A HREF = "pair_born.html">born/coul/long</A></TD><TD ><A HREF = "pair_brownian.html">brownian</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_brownian.html">brownian/poly</A></TD><TD ><A HREF = "pair_buck.html">buck</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/cut</A></TD><TD ><A HREF = "pair_buck.html">buck/coul/long</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_colloid.html">colloid</A></TD><TD ><A HREF = "pair_comb.html">comb</A></TD><TD ><A HREF = "pair_coul.html">coul/cut</A></TD><TD ><A HREF = "pair_coul.html">coul/debye</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_coul.html">coul/long</A></TD><TD ><A HREF = "pair_dipole.html">dipole/cut</A></TD><TD ><A HREF = "pair_dpd.html">dpd</A></TD><TD ><A HREF = "pair_dpd.html">dpd/tstat</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_dsmc.html">dsmc</A></TD><TD ><A HREF = "pair_eam.html">eam</A></TD><TD ><A HREF = "pair_eam.html">eam/alloy</A></TD><TD ><A HREF = "pair_eam.html">eam/fs</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_eim.html">eim</A></TD><TD ><A HREF = "pair_gauss.html">gauss</A></TD><TD ><A HREF = "pair_gayberne.html">gayberne</A></TD><TD ><A HREF = "pair_gran.html">gran/hertz/history</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_gran.html">gran/hooke</A></TD><TD ><A HREF = "pair_gran.html">gran/hooke/history</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/lj</A></TD><TD ><A HREF = "pair_hbond_dreiding.html">hbond/dreiding/morse</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_line_lj.html">line/lj</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/charmm/implicit</A></TD><TD ><A HREF = "pair_charmm.html">lj/charmm/coul/long</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_class2.html">lj/class2</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/cut</A></TD><TD ><A HREF = "pair_class2.html">lj/class2/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj.html">lj/cut/coul/cut</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/debye</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long</A></TD><TD ><A HREF = "pair_lj.html">lj/cut/coul/long/tip4p</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj_expand.html">lj/expand</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs</A></TD><TD ><A HREF = "pair_gromacs.html">lj/gromacs/coul/gromacs</A></TD><TD ><A HREF = "pair_lj_smooth.html">lj/smooth</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lj96.html">lj96/cut</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate</A></TD><TD ><A HREF = "pair_lubricate.html">lubricate/poly</A></TD><TD ><A HREF = "pair_lubricateU.html">lubricateU</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_lubricateU.html">lubricateU/poly</A></TD><TD ><A HREF = "pair_meam.html">meam</A></TD><TD ><A HREF = "pair_morse.html">morse</A></TD><TD ><A HREF = "pair_peri.html">peri/lps</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_peri.html">peri/pmb</A></TD><TD ><A HREF = "pair_reax.html">reax</A></TD><TD ><A HREF = "pair_airebo.html">rebo</A></TD><TD ><A HREF = "pair_resquared.html">resquared</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_soft.html">soft</A></TD><TD ><A HREF = "pair_sw.html">sw</A></TD><TD ><A HREF = "pair_table.html">table</A></TD><TD ><A HREF = "pair_tersoff.html">tersoff</A></TD></TR>
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<TR ALIGN="center"><TD ><A HREF = "pair_tersoff_zbl.html">tersoff/zbl</A></TD><TD ><A HREF = "pair_tri_lj.html">tri/lj</A></TD><TD ><A HREF = "pair_yukawa.html">yukawa</A></TD><TD ><A HREF = "pair_yukawa_colloid.html">yukawa/colloid</A>
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</TD></TR></TABLE></DIV>
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<P>These are pair styles contributed by users, which can be used if
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@ -437,6 +437,7 @@ of each style or click on the style itself for a full description:
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"npt/sphere"_fix_npt_sphere.html,
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"nve"_fix_nve.html,
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"nve/asphere"_fix_nve_asphere.html,
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"nve/asphere/noforce"_fix_nve_asphere_noforce.html,
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"nve/limit"_fix_nve_limit.html,
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"nve/line"_fix_nve_line.html,
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"nve/noforce"_fix_nve_noforce.html,
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@ -617,6 +618,8 @@ potentials. Click on the style itself for a full description:
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"airebo"_pair_airebo.html,
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"born"_pair_born.html,
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"born/coul/long"_pair_born.html,
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"brownian"_pair_brownian.html,
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"brownian/poly"_pair_brownian.html,
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"buck"_pair_buck.html,
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"buck/coul/cut"_pair_buck.html,
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"buck/coul/long"_pair_buck.html,
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@ -658,6 +661,9 @@ potentials. Click on the style itself for a full description:
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"lj/smooth"_pair_lj_smooth.html,
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"lj96/cut"_pair_lj96.html,
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"lubricate"_pair_lubricate.html,
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"lubricate/poly"_pair_lubricate.html,
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"lubricateU"_pair_lubricateU.html,
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"lubricateU/poly"_pair_lubricateU.html,
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"meam"_pair_meam.html,
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"morse"_pair_morse.html,
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"peri/lps"_pair_peri.html,
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@ -198,11 +198,12 @@ list of fix styles available in LAMMPS:
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<LI><A HREF = "fix_npt_asphere.html">npt/asphere</A> - NPT for aspherical particles
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<LI><A HREF = "fix_npt_sphere.html">npt/sphere</A> - NPT for spherical particles
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<LI><A HREF = "fix_nve.html">nve</A> - constant NVE time integration
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<LI><A HREF = "fix_nve_asphere.html">nve/asphere</A> - NVT for aspherical particles
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<LI><A HREF = "fix_nve_limit.html">nve/limit</A> - NVE with limited step length
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<LI><A HREF = "fix_nve_asphere.html">nve/asphere</A> - NVE for aspherical particles
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<LI><A HREF = "fix_nve_asphere_noforce.html">nve/asphere/noforce</A> - NVE for aspherical particles without forces<A HREF = "fix_nve_limit.html">
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<LI>nve/limit</A> - NVE with limited step length
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<LI><A HREF = "fix_nve_line.html">nve/line</A> - NVE for line segments
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<LI><A HREF = "fix_nve_noforce.html">nve/noforce</A> - NVE without forces (v only)
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<LI><A HREF = "fix_nve_sphere.html">nve/sphere</A> - NVT for spherical particles
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<LI><A HREF = "fix_nve_sphere.html">nve/sphere</A> - NVE for spherical particles
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<LI><A HREF = "fix_nve_tri.html">nve/tri</A> - NVE for triangles
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<LI><A HREF = "fix_nh.html">nvt</A> - constant NVT time integration via Nose/Hoover
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<LI><A HREF = "fix_nvt_asphere.html">nvt/asphere</A> - NVT for aspherical particles
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|
|||
|
|
@ -193,11 +193,12 @@ list of fix styles available in LAMMPS:
|
|||
"npt/asphere"_fix_npt_asphere.html - NPT for aspherical particles
|
||||
"npt/sphere"_fix_npt_sphere.html - NPT for spherical particles
|
||||
"nve"_fix_nve.html - constant NVE time integration
|
||||
"nve/asphere"_fix_nve_asphere.html - NVT for aspherical particles
|
||||
"nve/limit"_fix_nve_limit.html - NVE with limited step length
|
||||
"nve/asphere"_fix_nve_asphere.html - NVE for aspherical particles
|
||||
"nve/asphere/noforce"_fix_nve_asphere_noforce.html - NVE for aspherical particles without forces"
|
||||
nve/limit"_fix_nve_limit.html - NVE with limited step length
|
||||
"nve/line"_fix_nve_line.html - NVE for line segments
|
||||
"nve/noforce"_fix_nve_noforce.html - NVE without forces (v only)
|
||||
"nve/sphere"_fix_nve_sphere.html - NVT for spherical particles
|
||||
"nve/sphere"_fix_nve_sphere.html - NVE for spherical particles
|
||||
"nve/tri"_fix_nve_tri.html - NVE for triangles
|
||||
"nvt"_fix_nh.html - constant NVT time integration via Nose/Hoover
|
||||
"nvt/asphere"_fix_nvt_asphere.html - NVT for aspherical particles
|
||||
|
|
|
|||
|
|
@ -0,0 +1,70 @@
|
|||
<HTML>
|
||||
<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
|
||||
</CENTER>
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
<HR>
|
||||
|
||||
<H3>fix nve/asphere/noforce command
|
||||
</H3>
|
||||
<P><B>Syntax:</B>
|
||||
</P>
|
||||
<PRE>fix ID group-ID nve/asphere/noforce
|
||||
</PRE>
|
||||
<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
|
||||
<LI>nve/asphere/noforce = style name of this fix command
|
||||
</UL>
|
||||
<P><B>Examples:</B>
|
||||
</P>
|
||||
<P>fix 1 all nve/asphere/noforce
|
||||
</P>
|
||||
<P><B>Description:</B>
|
||||
</P>
|
||||
<P>Perform updates of position and orientation, but not velocity or
|
||||
angular momentum for atoms in the group each timestep. In other
|
||||
words, the force and torque on the atoms is ignored and their velocity
|
||||
and angular momentum are not updated. The atom velocities and
|
||||
angularm momenta are used to update their positions and orientation.
|
||||
</P>
|
||||
<P>This is useful as an implicit time integrator for Fast Lubrication
|
||||
Dynamics, since the velocity and angular momentum are updated by the
|
||||
<A HREF = "pair_lubricateU.txt">pair_style lubricuteU</A> command.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
|
||||
</P>
|
||||
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
|
||||
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
|
||||
are relevant to this fix. No global or per-atom quantities are stored
|
||||
by this fix for access by various <A HREF = "Section_howto.html#howto_15">output
|
||||
commands</A>. No parameter of this fix can
|
||||
be used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command.
|
||||
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>.
|
||||
</P>
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This fix is part of the ASPHERE package. It is only enabled if LAMMPS
|
||||
was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P>This fix requires that atoms store torque and angular momementum and a
|
||||
quaternion as defined by the <A HREF = "atom_style.html">atom_style ellipsoid</A>
|
||||
command.
|
||||
</P>
|
||||
<P>All particles in the group must be finite-size. They cannot be point
|
||||
particles, but they can be aspherical or spherical as defined by their
|
||||
shape attribute.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
<P><A HREF = "fix_nve_noforce.html">fix nve/noforce</A>, <A HREF = "fix_nve_asphere.html">fix
|
||||
nve/asphere</A>
|
||||
</P>
|
||||
<P><B>Default:</B> none
|
||||
</P>
|
||||
</HTML>
|
||||
|
|
@ -0,0 +1,65 @@
|
|||
"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
|
||||
|
||||
fix nve/asphere/noforce command :h3
|
||||
|
||||
[Syntax:]
|
||||
|
||||
fix ID group-ID nve/asphere/noforce :pre
|
||||
|
||||
ID, group-ID are documented in "fix"_fix.html command
|
||||
nve/asphere/noforce = style name of this fix command :ul
|
||||
|
||||
[Examples:]
|
||||
|
||||
fix 1 all nve/asphere/noforce
|
||||
|
||||
[Description:]
|
||||
|
||||
Perform updates of position and orientation, but not velocity or
|
||||
angular momentum for atoms in the group each timestep. In other
|
||||
words, the force and torque on the atoms is ignored and their velocity
|
||||
and angular momentum are not updated. The atom velocities and
|
||||
angularm momenta are used to update their positions and orientation.
|
||||
|
||||
This is useful as an implicit time integrator for Fast Lubrication
|
||||
Dynamics, since the velocity and angular momentum are updated by the
|
||||
"pair_style lubricuteU"_pair_lubricateU.txt command.
|
||||
|
||||
:line
|
||||
|
||||
[Restart, fix_modify, output, run start/stop, minimize info:]
|
||||
|
||||
No information about this fix is written to "binary restart
|
||||
files"_restart.html. None of the "fix_modify"_fix_modify.html options
|
||||
are relevant to this fix. No global or per-atom quantities are stored
|
||||
by this fix for access by various "output
|
||||
commands"_Section_howto.html#howto_15. No parameter of this fix can
|
||||
be used with the {start/stop} keywords of the "run"_run.html command.
|
||||
This fix is not invoked during "energy minimization"_minimize.html.
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
This fix is part of the ASPHERE package. It is only enabled if LAMMPS
|
||||
was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
This fix requires that atoms store torque and angular momementum and a
|
||||
quaternion as defined by the "atom_style ellipsoid"_atom_style.html
|
||||
command.
|
||||
|
||||
All particles in the group must be finite-size. They cannot be point
|
||||
particles, but they can be aspherical or spherical as defined by their
|
||||
shape attribute.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
"fix nve/noforce"_fix_nve_noforce.html, "fix
|
||||
nve/asphere"_fix_nve_asphere.html
|
||||
|
||||
[Default:] none
|
||||
|
|
@ -40,11 +40,14 @@
|
|||
</PRE>
|
||||
<LI>zero or more keyword/value pairs may be appended
|
||||
|
||||
<LI>keyword = <I>units</I>
|
||||
<LI>keyword = <I>units</I> or <I>fld</I>
|
||||
|
||||
<PRE> <I>units</I> value = <I>lattice</I> or <I>box</I>
|
||||
<I>lattice</I> = the wall position is defined in lattice units
|
||||
<I>box</I> = the wall position is defined in simulation box units
|
||||
<I>box</I> = the wall position is defined in simulation box units
|
||||
<I>fld</I> value = <I>yes</I> or <I>no</I>
|
||||
<I>yes</I> = invoke the wall constraint to be compatible with implicit FLD
|
||||
<I>yes</I> = invoke the wall constraint in the normal way
|
||||
</PRE>
|
||||
|
||||
</UL>
|
||||
|
|
@ -162,6 +165,13 @@ A <I>lattice</I> value means the distance units are in lattice spacings.
|
|||
The <A HREF = "lattice.html">lattice</A> command must have been previously used to
|
||||
define the lattice spacings.
|
||||
</P>
|
||||
<P>The <I>fld</I> keyword can be used with a <I>yes</I> setting to invoke the wall
|
||||
constraint before pairwise interactions are computed. This allows an
|
||||
implicit FLD model using <A HREF = "pair_lubricateU.html">pair_style lubricateU</A>
|
||||
to include the wall force in its calculations. If the setting is
|
||||
<I>no</I>, wall forces are imposed after pairwise interactions, in the
|
||||
usual manner.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Here are examples of variable definitions that move the wall position
|
||||
|
|
|
|||
|
|
@ -28,10 +28,13 @@ face = {xlo} or {xhi} or {ylo} or {yhi} or {zlo} or {zhi} :l
|
|||
sigma = size factor for wall-particle interaction (distance units)
|
||||
cutoff = distance from wall at which wall-particle interaction is cut off (distance units) :pre
|
||||
zero or more keyword/value pairs may be appended :l
|
||||
keyword = {units} :l
|
||||
keyword = {units} or {fld} :l
|
||||
{units} value = {lattice} or {box}
|
||||
{lattice} = the wall position is defined in lattice units
|
||||
{box} = the wall position is defined in simulation box units :pre
|
||||
{box} = the wall position is defined in simulation box units
|
||||
{fld} value = {yes} or {no}
|
||||
{yes} = invoke the wall constraint to be compatible with implicit FLD
|
||||
{yes} = invoke the wall constraint in the normal way :pre
|
||||
:ule
|
||||
|
||||
[Examples:]
|
||||
|
|
@ -148,6 +151,13 @@ A {lattice} value means the distance units are in lattice spacings.
|
|||
The "lattice"_lattice.html command must have been previously used to
|
||||
define the lattice spacings.
|
||||
|
||||
The {fld} keyword can be used with a {yes} setting to invoke the wall
|
||||
constraint before pairwise interactions are computed. This allows an
|
||||
implicit FLD model using "pair_style lubricateU"_pair_lubricateU.html
|
||||
to include the wall force in its calculations. If the setting is
|
||||
{no}, wall forces are imposed after pairwise interactions, in the
|
||||
usual manner.
|
||||
|
||||
:line
|
||||
|
||||
Here are examples of variable definitions that move the wall position
|
||||
|
|
|
|||
|
|
@ -94,16 +94,16 @@ in a time-dependent fashion using equal-style
|
|||
"variables"_variable.html.
|
||||
|
||||
variable ramp equal ramp(0,10)
|
||||
fix 1 all wall xlo v_ramp 1.0 1.0 2.5 :pre
|
||||
fix 1 all wall xlo v_ramp :pre
|
||||
|
||||
variable linear equal vlinear(0,20)
|
||||
fix 1 all wall xlo v_linear 1.0 1.0 2.5 :pre
|
||||
fix 1 all wall xlo v_linear :pre
|
||||
|
||||
variable wiggle equal swiggle(0.0,5.0,3.0)
|
||||
fix 1 all wall xlo v_wiggle 1.0 1.0 2.5 :pre
|
||||
fix 1 all wall xlo v_wiggle :pre
|
||||
|
||||
variable wiggle equal cwiggle(0.0,5.0,3.0)
|
||||
fix 1 all wall xlo v_wiggle 1.0 1.0 2.5 :pre
|
||||
fix 1 all wall xlo v_wiggle :pre
|
||||
|
||||
The ramp(lo,hi) function adjusts the wall position linearly from lo to
|
||||
hi over the course of a run. The linear(c0,velocity) function does
|
||||
|
|
|
|||
|
|
@ -91,6 +91,8 @@ the pair_style command, and coefficients specified by the associated
|
|||
<LI><A HREF = "pair_airebo.html">pair_style airebo</A> - AIREBO potential of Stuart
|
||||
<LI><A HREF = "pair_born.html">pair_style born</A> - Born-Mayer-Huggins potential
|
||||
<LI><A HREF = "pair_born.html">pair_style born/coul/long</A> - Born-Mayer-Huggins with long-range Coulomb
|
||||
<LI><A HREF = "pair_brownian.html">pair_style brownian</A> - Brownian potential for Fast Lubrication Dynamics
|
||||
<LI><A HREF = "pair_brownian.html">pair_style brownian/poly</A> - Brownian potential for Fast Lubrication Dynamics with polydispersity
|
||||
<LI><A HREF = "pair_buck.html">pair_style buck</A> - Buckingham potential
|
||||
<LI><A HREF = "pair_buck.html">pair_style buck/coul/cut</A> - Buckingham with cutoff Coulomb
|
||||
<LI><A HREF = "pair_buck.html">pair_style buck/coul/long</A> - Buckingham with long-range Coulomb
|
||||
|
|
@ -131,6 +133,9 @@ the pair_style command, and coefficients specified by the associated
|
|||
<LI><A HREF = "pair_lj_smooth.html">pair_style lj/smooth</A> - smoothed Lennard-Jones potential
|
||||
<LI><A HREF = "pair_lj96.html">pair_style lj96/cut</A> - Lennard-Jones 9/6 potential
|
||||
<LI><A HREF = "pair_lubricate.html">pair_style lubricate</A> - hydrodynamic lubrication forces
|
||||
<LI><A HREF = "pair_lubricate.html">pair_style lubricate/poly</A> - hydrodynamic lubrication forces with polydispersity
|
||||
<LI><A HREF = "pair_lubricateU.html">pair_style lubricateU</A> - hydrodynamic lubrication forces for Fast Lubrication Dynamics
|
||||
<LI><A HREF = "pair_lubricateU.html">pair_style lubricateU/poly</A> - hydrodynamic lubrication forces for Fast Lubrication Dynamics with polydispersity
|
||||
<LI><A HREF = "pair_meam.html">pair_style meam</A> - modified embedded atom method (MEAM)
|
||||
<LI><A HREF = "pair_morse.html">pair_style morse</A> - Morse potential
|
||||
<LI><A HREF = "pair_peri.html">pair_style peri/lps</A> - peridynamic LPS potential
|
||||
|
|
|
|||
|
|
@ -88,6 +88,8 @@ the pair_style command, and coefficients specified by the associated
|
|||
"pair_style airebo"_pair_airebo.html - AIREBO potential of Stuart
|
||||
"pair_style born"_pair_born.html - Born-Mayer-Huggins potential
|
||||
"pair_style born/coul/long"_pair_born.html - Born-Mayer-Huggins with long-range Coulomb
|
||||
"pair_style brownian"_pair_brownian.html - Brownian potential for Fast Lubrication Dynamics
|
||||
"pair_style brownian/poly"_pair_brownian.html - Brownian potential for Fast Lubrication Dynamics with polydispersity
|
||||
"pair_style buck"_pair_buck.html - Buckingham potential
|
||||
"pair_style buck/coul/cut"_pair_buck.html - Buckingham with cutoff Coulomb
|
||||
"pair_style buck/coul/long"_pair_buck.html - Buckingham with long-range Coulomb
|
||||
|
|
@ -128,6 +130,9 @@ the pair_style command, and coefficients specified by the associated
|
|||
"pair_style lj/smooth"_pair_lj_smooth.html - smoothed Lennard-Jones potential
|
||||
"pair_style lj96/cut"_pair_lj96.html - Lennard-Jones 9/6 potential
|
||||
"pair_style lubricate"_pair_lubricate.html - hydrodynamic lubrication forces
|
||||
"pair_style lubricate/poly"_pair_lubricate.html - hydrodynamic lubrication forces with polydispersity
|
||||
"pair_style lubricateU"_pair_lubricateU.html - hydrodynamic lubrication forces for Fast Lubrication Dynamics
|
||||
"pair_style lubricateU/poly"_pair_lubricateU.html - hydrodynamic lubrication forces for Fast Lubrication Dynamics with polydispersity
|
||||
"pair_style meam"_pair_meam.html - modified embedded atom method (MEAM)
|
||||
"pair_style morse"_pair_morse.html - Morse potential
|
||||
"pair_style peri/lps"_pair_peri.html - peridynamic LPS potential
|
||||
|
|
|
|||
|
|
@ -1,178 +0,0 @@
|
|||
<HTML>
|
||||
<CENTER><A HREF = "http://lammps.sandia.gov">LAMMPS WWW Site</A> - <A HREF = "Manual.html">LAMMPS Documentation</A> - <A HREF = "Section_commands.html#comm">LAMMPS Commands</A>
|
||||
</CENTER>
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
|
||||
<HR>
|
||||
|
||||
<H3>pair_style lubricate command
|
||||
</H3>
|
||||
<H3>pair_style lubricate/omp command
|
||||
</H3>
|
||||
<P><B>Syntax:</B>
|
||||
</P>
|
||||
<PRE>pair_style lubricate mu squeeze shear pump twist cutinner cutoff T_target seed
|
||||
</PRE>
|
||||
<UL><LI>mu = dynamic viscosity (dynamic viscosity units)
|
||||
<LI>squeeze = 0/1 for squeeze force off/on
|
||||
<LI>shear = 0/1 for shear force off/on
|
||||
<LI>pump = 0/1 for pump force off/on
|
||||
<LI>twist = 0/1 for twist force off/on
|
||||
<LI>cutinner = (distance units)
|
||||
<LI>cutoff = outer cutoff for interactions (distance units)
|
||||
<LI>T_target = desired temperature (temperature units)
|
||||
<LI>seed = random number seed (positive integer)
|
||||
</UL>
|
||||
<P><B>Examples:</B>
|
||||
</P>
|
||||
<PRE>pair_style lubricate 1.5 1 1 1 0 2.3 2.4 1.3 5878598
|
||||
pair_coeff 1 1 1.8 2.0
|
||||
pair_coeff * *
|
||||
</PRE>
|
||||
<PRE>pair_style lubricate 1.0 1 1 1 0 2.3 2.4 1.3 5878598
|
||||
pair_coeff * *
|
||||
variable mu equal ramp(1,2)
|
||||
fix 1 all adapt 1 pair lubricate mu * * v_mu
|
||||
</PRE>
|
||||
<P><B>Description:</B>
|
||||
</P>
|
||||
<P>Style <I>lubricate</I> computes pairwise interactions between mono-disperse
|
||||
spherical particles via this formula from <A HREF = "#Ball">(Ball and Melrose)</A>
|
||||
</P>
|
||||
<CENTER><IMG SRC = "Eqs/pair_lubricate.jpg">
|
||||
</CENTER>
|
||||
<P>which represents the dissipation W between two nearby particles due to
|
||||
their relative velocities in the presence of a background solvent with
|
||||
viscosity mu. Note that this is dynamic viscosity which has units of
|
||||
mass/distance/time, not kinematic viscosity.
|
||||
</P>
|
||||
<P>The viscosity mu can be varied in a time-dependent manner over the
|
||||
course of a simluation, in which case in which case the pair_style
|
||||
setting for mu will be overridden. See the <A HREF = "fix_adapt.html">fix adapt</A>
|
||||
command for details.
|
||||
</P>
|
||||
<P>Rc is the outer cutoff specified in the pair_style command, the
|
||||
translational velocities of the 2 particles are v1 and v2, the angular
|
||||
velocities are w1 and w2, and n is the unit vector in the direction
|
||||
from particle 1 to 2. The 4 terms represent four modes of pairwise
|
||||
interaction: squeezing, shearing, pumping, and twisting. The 4 flags
|
||||
in the pair_style command turn on or off each of these modes by
|
||||
including or excluding each term. The 4 coefficients on each term are
|
||||
functions of the separation distance of the particles and the
|
||||
viscosity. Details are given in <A HREF = "#Ball">(Ball and Melrose)</A>, including
|
||||
the forces and torques that result from taking derivatives of this
|
||||
equation with respect to velocity (see Appendix A).
|
||||
</P>
|
||||
<P>Unlike most pair potentials, the two specified cutoffs (cutinner and
|
||||
cutoff) refer to the surface-to-surface separation between two
|
||||
particles, not center-to-center distance. Currently, this pair style
|
||||
can only be used for mono-disperse extended spheres (same radii), so
|
||||
that separation is r_ij - 2*radius, where r_ij is the center-to-center
|
||||
distance between the particles. Within the inner cutoff <I>cutinner</I>,
|
||||
the forces and torques are evaluated at a separation of cutinner. The
|
||||
outer <I>cutoff</I> is the separation distance beyond which the pair-wise
|
||||
forces are zero.
|
||||
</P>
|
||||
<P>A Langevin thermostatting term is also added to the pairwise force,
|
||||
similar to that provided by the <A HREF = "fix_langevin.html">fix langevin</A> or
|
||||
<A HREF = "pair_dpd.html">pair_style dpd</A> commands. The target temperature for
|
||||
the thermostat is the specified <I>T_target</I>. The <I>seed</I> is used for
|
||||
the random numbers generated for the thermostat.
|
||||
</P>
|
||||
<P>The following coefficients must be defined for each pair of atoms
|
||||
types via the <A HREF = "pair_coeff.html">pair_coeff</A> command as in the examples
|
||||
above, or in the data file or restart files read by the
|
||||
<A HREF = "read_data.html">read_data</A> or <A HREF = "read_restart.html">read_restart</A>
|
||||
commands, or by mixing as described below:
|
||||
</P>
|
||||
<UL><LI>cutinner (distance units)
|
||||
<LI>cutoff (distance units)
|
||||
</UL>
|
||||
<P>The two coefficients are optional. If neither is specified, the two
|
||||
cutoffs specified in the pair_style command are used. Otherwise both
|
||||
must be specified.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>omp</I>, or <I>opt</I> 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 HREF = "Section_accelerate.html">this section</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 USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the <A HREF = "Section_start.html#start_3">Making LAMMPS</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 HREF = "Section_start.html#start_6">-suffix command-line
|
||||
switch</A> when you invoke LAMMPS, or you can
|
||||
use the <A HREF = "suffix.html">suffix</A> command in your input script.
|
||||
</P>
|
||||
<P>See <A HREF = "Section_accelerate.html">this section</A> of the manual for more
|
||||
instructions on how to use the accelerated styles effectively.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P><B>Mixing, shift, table, tail correction, restart, rRESPA info</B>:
|
||||
</P>
|
||||
<P>For atom type pairs I,J and I != J, the two cutoff distances for this
|
||||
pair style can be mixed. The default mix value is <I>geometric</I>. See
|
||||
the "pair_modify" command for details.
|
||||
</P>
|
||||
<P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A>
|
||||
shift option for the energy of the pair interaction.
|
||||
</P>
|
||||
<P>The <A HREF = "pair_modify.html">pair_modify</A> table option is not relevant
|
||||
for this pair style.
|
||||
</P>
|
||||
<P>This pair style does not support the <A HREF = "pair_modify.html">pair_modify</A>
|
||||
tail option for adding long-range tail corrections to energy and
|
||||
pressure.
|
||||
</P>
|
||||
<P>This pair style writes its information to <A HREF = "restart.html">binary restart
|
||||
files</A>, so pair_style and pair_coeff commands do not need
|
||||
to be specified in an input script that reads a restart file.
|
||||
</P>
|
||||
<P>This pair style can only be used via the <I>pair</I> keyword of the
|
||||
<A HREF = "run_style.html">run_style respa</A> command. It does not support the
|
||||
<I>inner</I>, <I>middle</I>, <I>outer</I> keywords.
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<P><B>Restrictions:</B>
|
||||
</P>
|
||||
<P>This style is part of the COLLOID package. It is only enabled if
|
||||
LAMMPS was built with that package. See the <A HREF = "Section_start.html#start_3">Making
|
||||
LAMMPS</A> section for more info.
|
||||
</P>
|
||||
<P>This pair style requires that atoms be finite-size spheres with a
|
||||
diameter, as defined by the <A HREF = "atom_style.html">atom_style sphere</A>
|
||||
command.
|
||||
</P>
|
||||
<P>Per-particle or per-type polydispersity is not yet supported by this
|
||||
pair style; all particles must have the same diameter.
|
||||
</P>
|
||||
<P>This pair style requires you to use the <A HREF = "communicate.html">communicate vel
|
||||
yes</A> option so that velocites are stored by ghost
|
||||
atoms.
|
||||
</P>
|
||||
<P><B>Related commands:</B>
|
||||
</P>
|
||||
<P><A HREF = "pair_coeff.html">pair_coeff</A>
|
||||
</P>
|
||||
<P><B>Default:</B> none
|
||||
</P>
|
||||
<HR>
|
||||
|
||||
<A NAME = "Ball"></A>
|
||||
|
||||
<P><B>(Ball)</B> Ball and Melrose, Physica A, 247, 444-472 (1997).
|
||||
</P>
|
||||
</HTML>
|
||||
|
|
@ -1,171 +0,0 @@
|
|||
"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 lubricate command :h3
|
||||
pair_style lubricate/omp command :h3
|
||||
|
||||
[Syntax:]
|
||||
|
||||
pair_style lubricate mu squeeze shear pump twist cutinner cutoff T_target seed :pre
|
||||
|
||||
mu = dynamic viscosity (dynamic viscosity units)
|
||||
squeeze = 0/1 for squeeze force off/on
|
||||
shear = 0/1 for shear force off/on
|
||||
pump = 0/1 for pump force off/on
|
||||
twist = 0/1 for twist force off/on
|
||||
cutinner = (distance units)
|
||||
cutoff = outer cutoff for interactions (distance units)
|
||||
T_target = desired temperature (temperature units)
|
||||
seed = random number seed (positive integer) :ul
|
||||
|
||||
[Examples:]
|
||||
|
||||
pair_style lubricate 1.5 1 1 1 0 2.3 2.4 1.3 5878598
|
||||
pair_coeff 1 1 1.8 2.0
|
||||
pair_coeff * * :pre
|
||||
|
||||
pair_style lubricate 1.0 1 1 1 0 2.3 2.4 1.3 5878598
|
||||
pair_coeff * *
|
||||
variable mu equal ramp(1,2)
|
||||
fix 1 all adapt 1 pair lubricate mu * * v_mu :pre
|
||||
|
||||
[Description:]
|
||||
|
||||
Style {lubricate} computes pairwise interactions between mono-disperse
|
||||
spherical particles via this formula from "(Ball and Melrose)"_#Ball
|
||||
|
||||
:c,image(Eqs/pair_lubricate.jpg)
|
||||
|
||||
which represents the dissipation W between two nearby particles due to
|
||||
their relative velocities in the presence of a background solvent with
|
||||
viscosity mu. Note that this is dynamic viscosity which has units of
|
||||
mass/distance/time, not kinematic viscosity.
|
||||
|
||||
The viscosity mu can be varied in a time-dependent manner over the
|
||||
course of a simluation, in which case in which case the pair_style
|
||||
setting for mu will be overridden. See the "fix adapt"_fix_adapt.html
|
||||
command for details.
|
||||
|
||||
Rc is the outer cutoff specified in the pair_style command, the
|
||||
translational velocities of the 2 particles are v1 and v2, the angular
|
||||
velocities are w1 and w2, and n is the unit vector in the direction
|
||||
from particle 1 to 2. The 4 terms represent four modes of pairwise
|
||||
interaction: squeezing, shearing, pumping, and twisting. The 4 flags
|
||||
in the pair_style command turn on or off each of these modes by
|
||||
including or excluding each term. The 4 coefficients on each term are
|
||||
functions of the separation distance of the particles and the
|
||||
viscosity. Details are given in "(Ball and Melrose)"_#Ball, including
|
||||
the forces and torques that result from taking derivatives of this
|
||||
equation with respect to velocity (see Appendix A).
|
||||
|
||||
Unlike most pair potentials, the two specified cutoffs (cutinner and
|
||||
cutoff) refer to the surface-to-surface separation between two
|
||||
particles, not center-to-center distance. Currently, this pair style
|
||||
can only be used for mono-disperse extended spheres (same radii), so
|
||||
that separation is r_ij - 2*radius, where r_ij is the center-to-center
|
||||
distance between the particles. Within the inner cutoff {cutinner},
|
||||
the forces and torques are evaluated at a separation of cutinner. The
|
||||
outer {cutoff} is the separation distance beyond which the pair-wise
|
||||
forces are zero.
|
||||
|
||||
A Langevin thermostatting term is also added to the pairwise force,
|
||||
similar to that provided by the "fix langevin"_fix_langevin.html or
|
||||
"pair_style dpd"_pair_dpd.html commands. The target temperature for
|
||||
the thermostat is the specified {T_target}. The {seed} is used for
|
||||
the random numbers generated for the thermostat.
|
||||
|
||||
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:
|
||||
|
||||
cutinner (distance units)
|
||||
cutoff (distance units) :ul
|
||||
|
||||
The two coefficients are optional. If neither is specified, the two
|
||||
cutoffs specified in the pair_style command are used. Otherwise both
|
||||
must be specified.
|
||||
|
||||
:line
|
||||
|
||||
Styles with a {cuda}, {gpu}, {omp}, or {opt} 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 "this section"_Section_accelerate.html of the manual.
|
||||
The accelerated styles take the same arguments and should produce the
|
||||
same results, except for round-off and precision issues.
|
||||
|
||||
These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT
|
||||
packages, respectively. They are only enabled if LAMMPS was built with
|
||||
those packages. See the "Making LAMMPS"_Section_start.html#start_3
|
||||
section for more info.
|
||||
|
||||
You can specify the accelerated styles explicitly in your input script
|
||||
by including their suffix, or you can use the "-suffix command-line
|
||||
switch"_Section_start.html#start_6 when you invoke LAMMPS, or you can
|
||||
use the "suffix"_suffix.html command in your input script.
|
||||
|
||||
See "this section"_Section_accelerate.html of the manual for more
|
||||
instructions on how to use the accelerated styles effectively.
|
||||
|
||||
:line
|
||||
|
||||
[Mixing, shift, table, tail correction, restart, rRESPA info]:
|
||||
|
||||
For atom type pairs I,J and I != J, the two cutoff distances for this
|
||||
pair style can be mixed. The default mix value is {geometric}. See
|
||||
the "pair_modify" command for details.
|
||||
|
||||
This pair style does not support the "pair_modify"_pair_modify.html
|
||||
shift option for the energy of the pair interaction.
|
||||
|
||||
The "pair_modify"_pair_modify.html table option is not relevant
|
||||
for this pair style.
|
||||
|
||||
This pair style does not support the "pair_modify"_pair_modify.html
|
||||
tail option for adding long-range tail corrections to energy and
|
||||
pressure.
|
||||
|
||||
This pair style writes its information to "binary restart
|
||||
files"_restart.html, so pair_style and pair_coeff commands do not need
|
||||
to be specified in an input script that reads a restart file.
|
||||
|
||||
This pair style can only be used via the {pair} keyword of the
|
||||
"run_style respa"_run_style.html command. It does not support the
|
||||
{inner}, {middle}, {outer} keywords.
|
||||
|
||||
:line
|
||||
|
||||
[Restrictions:]
|
||||
|
||||
This style is part of the COLLOID package. It is only enabled if
|
||||
LAMMPS was built with that package. See the "Making
|
||||
LAMMPS"_Section_start.html#start_3 section for more info.
|
||||
|
||||
This pair style requires that atoms be finite-size spheres with a
|
||||
diameter, as defined by the "atom_style sphere"_atom_style.html
|
||||
command.
|
||||
|
||||
Per-particle or per-type polydispersity is not yet supported by this
|
||||
pair style; all particles must have the same diameter.
|
||||
|
||||
This pair style requires you to use the "communicate vel
|
||||
yes"_communicate.html option so that velocites are stored by ghost
|
||||
atoms.
|
||||
|
||||
[Related commands:]
|
||||
|
||||
"pair_coeff"_pair_coeff.html
|
||||
|
||||
[Default:] none
|
||||
|
||||
:line
|
||||
|
||||
:link(Ball)
|
||||
[(Ball)] Ball and Melrose, Physica A, 247, 444-472 (1997).
|
||||
|
|
@ -93,6 +93,8 @@ the pair_style command, and coefficients specified by the associated
|
|||
<LI><A HREF = "pair_airebo.html">pair_style airebo</A> - AIREBO potential of Stuart
|
||||
<LI><A HREF = "pair_born.html">pair_style born</A> - Born-Mayer-Huggins potential
|
||||
<LI><A HREF = "pair_born.html">pair_style born/coul/long</A> - Born-Mayer-Huggins with long-range Coulomb
|
||||
<LI><A HREF = "pair_brownian.html">pair_style brownian</A> - Brownian potential for Fast Lubrication Dynamics
|
||||
<LI><A HREF = "pair_brownian.html">pair_style brownian/poly</A> - Brownian potential for Fast Lubrication Dynamics with polydispersity
|
||||
<LI><A HREF = "pair_buck.html">pair_style buck</A> - Buckingham potential
|
||||
<LI><A HREF = "pair_buck.html">pair_style buck/coul/cut</A> - Buckingham with cutoff Coulomb
|
||||
<LI><A HREF = "pair_buck.html">pair_style buck/coul/long</A> - Buckingham with long-range Coulomb
|
||||
|
|
@ -133,6 +135,9 @@ the pair_style command, and coefficients specified by the associated
|
|||
<LI><A HREF = "pair_lj_smooth.html">pair_style lj/smooth</A> - smoothed Lennard-Jones potential
|
||||
<LI><A HREF = "pair_lj96.html">pair_style lj96/cut</A> - Lennard-Jones 9/6 potential
|
||||
<LI><A HREF = "pair_lubricate.html">pair_style lubricate</A> - hydrodynamic lubrication forces
|
||||
<LI><A HREF = "pair_lubricate.html">pair_style lubricate/poly</A> - hydrodynamic lubrication forces with polydispersity
|
||||
<LI><A HREF = "pair_lubricateU.html">pair_style lubricateU</A> - hydrodynamic lubrication forces for Fast Lubrication Dynamics
|
||||
<LI><A HREF = "pair_lubricateU.html">pair_style lubricateU/poly</A> - hydrodynamic lubrication forces for Fast Lubrication with polydispersity
|
||||
<LI><A HREF = "pair_meam.html">pair_style meam</A> - modified embedded atom method (MEAM)
|
||||
<LI><A HREF = "pair_morse.html">pair_style morse</A> - Morse potential
|
||||
<LI><A HREF = "pair_peri.html">pair_style peri/lps</A> - peridynamic LPS potential
|
||||
|
|
|
|||
|
|
@ -90,6 +90,8 @@ the pair_style command, and coefficients specified by the associated
|
|||
"pair_style airebo"_pair_airebo.html - AIREBO potential of Stuart
|
||||
"pair_style born"_pair_born.html - Born-Mayer-Huggins potential
|
||||
"pair_style born/coul/long"_pair_born.html - Born-Mayer-Huggins with long-range Coulomb
|
||||
"pair_style brownian"_pair_brownian.html - Brownian potential for Fast Lubrication Dynamics
|
||||
"pair_style brownian/poly"_pair_brownian.html - Brownian potential for Fast Lubrication Dynamics with polydispersity
|
||||
"pair_style buck"_pair_buck.html - Buckingham potential
|
||||
"pair_style buck/coul/cut"_pair_buck.html - Buckingham with cutoff Coulomb
|
||||
"pair_style buck/coul/long"_pair_buck.html - Buckingham with long-range Coulomb
|
||||
|
|
@ -130,6 +132,9 @@ the pair_style command, and coefficients specified by the associated
|
|||
"pair_style lj/smooth"_pair_lj_smooth.html - smoothed Lennard-Jones potential
|
||||
"pair_style lj96/cut"_pair_lj96.html - Lennard-Jones 9/6 potential
|
||||
"pair_style lubricate"_pair_lubricate.html - hydrodynamic lubrication forces
|
||||
"pair_style lubricate/poly"_pair_lubricate.html - hydrodynamic lubrication forces with polydispersity
|
||||
"pair_style lubricateU"_pair_lubricateU.html - hydrodynamic lubrication forces for Fast Lubrication Dynamics
|
||||
"pair_style lubricateU/poly"_pair_lubricateU.html - hydrodynamic lubrication forces for Fast Lubrication with polydispersity
|
||||
"pair_style meam"_pair_meam.html - modified embedded atom method (MEAM)
|
||||
"pair_style morse"_pair_morse.html - Morse potential
|
||||
"pair_style peri/lps"_pair_peri.html - peridynamic LPS potential
|
||||
|
|
|
|||
Loading…
Reference in New Issue