(a21d4e48) · Commits · 郑智淋 / lammps

doc/Section_commands.html

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		<TR ALIGN="center"><TD ><A HREF = "fix_addforce.html">addforce</A></TD><TD ><A HREF = "fix_aveforce.html">aveforce</A></TD><TD ><A HREF = "fix_ave_spatial.html">ave/spatial</A></TD><TD ><A HREF = "fix_ave_time.html">ave/time</A></TD><TD ><A HREF = "fix_com.html">com</A></TD><TD ><A HREF = "fix_deform.html">deform</A></TD><TD ><A HREF = "fix_deposit.html">deposit</A></TD><TD ><A HREF = "fix_drag.html">drag</A></TD></TR>
		<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_freeze.html">freeze</A></TD><TD ><A HREF = "fix_gran_diag.html">gran/diag</A></TD><TD ><A HREF = "fix_gravity.html">gravity</A></TD><TD ><A HREF = "fix_gyration.html">gyration</A></TD><TD ><A HREF = "fix_heat.html">heat</A></TD><TD ><A HREF = "fix_indent.html">indent</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "fix_langevin.html">langevin</A></TD><TD ><A HREF = "fix_lineforce.html">lineforce</A></TD><TD ><A HREF = "fix_msd.html">msd</A></TD><TD ><A HREF = "fix_momentum.html">momentum</A></TD><TD ><A HREF = "fix_nph.html">nph</A></TD><TD ><A HREF = "fix_npt.html">npt</A></TD><TD ><A HREF = "fix_npt_asphere.html">npt/asphere</A></TD><TD ><A HREF = "fix_nve.html">nve</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "fix_nve_asphere.html">nve/asphere</A></TD><TD ><A HREF = "fix_nve_dipole.html">nve/dipole</A></TD><TD ><A HREF = "fix_nve_gran.html">nve/gran</A></TD><TD ><A HREF = "fix_nve_noforce.html">nve/noforce</A></TD><TD ><A HREF = "fix_nvt.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><TD ><A HREF = "fix_orient_fcc.html">orient/fcc</A></TD></TR>
		<TR ALIGN="center"><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_print.html">print</A></TD><TD ><A HREF = "fix_rdf.html">rdf</A></TD><TD ><A HREF = "fix_recenter.html">recenter</A></TD><TD ><A HREF = "fix_rigid.html">rigid</A></TD><TD ><A HREF = "fix_setforce.html">setforce</A></TD></TR>
		<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_temp_rescale.html">temp/rescale</A></TD><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_viscous.html">viscous</A></TD><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "fix_wall_lj126.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall_lj93.html">wall/lj93</A></TD><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD><TD ><A HREF = "fix_wiggle.html">wiggle</A>
		<TR ALIGN="center"><TD ><A HREF = "fix_nve_asphere.html">nve/asphere</A></TD><TD ><A HREF = "fix_nve_dipole.html">nve/dipole</A></TD><TD ><A HREF = "fix_nve_gran.html">nve/gran</A></TD><TD ><A HREF = "fix_nve_limit.html">nve/limit</A></TD><TD ><A HREF = "fix_nve_noforce.html">nve/noforce</A></TD><TD ><A HREF = "fix_nvt.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>
		<TR ALIGN="center"><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_print.html">print</A></TD><TD ><A HREF = "fix_rdf.html">rdf</A></TD><TD ><A HREF = "fix_recenter.html">recenter</A></TD><TD ><A HREF = "fix_rigid.html">rigid</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "fix_setforce.html">setforce</A></TD><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_temp_rescale.html">temp/rescale</A></TD><TD ><A HREF = "fix_tmd.html">tmd</A></TD><TD ><A HREF = "fix_viscous.html">viscous</A></TD></TR>
		<TR ALIGN="center"><TD ><A HREF = "fix_wall_gran.html">wall/gran</A></TD><TD ><A HREF = "fix_wall_lj126.html">wall/lj126</A></TD><TD ><A HREF = "fix_wall_lj93.html">wall/lj93</A></TD><TD ><A HREF = "fix_wall_reflect.html">wall/reflect</A></TD><TD ><A HREF = "fix_wiggle.html">wiggle</A>
		</TD></TR></TABLE></DIV>

		<HR>

doc/Section_commands.txt

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		@@ -403,6 +403,7 @@ description:
		"nve/asphere"_fix_nve_asphere.html,
		"nve/dipole"_fix_nve_dipole.html,
		"nve/gran"_fix_nve_gran.html,
		"nve/limit"_fix_nve_limit.html,
		"nve/noforce"_fix_nve_noforce.html,
		"nvt"_fix_nvt.html,
		"nvt/asphere"_fix_nvt_asphere.html,

doc/fix.html

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		@@ -99,6 +99,7 @@ for individual fixes for info on which ones can be restarted.
		<LI><A HREF = "fix_nve_asphere.html">fix nve/asphere</A> - NVT for aspherical particles
		<LI><A HREF = "fix_nve_dipole.html">fix nve/dipole</A> - NVE for point dipolar particles
		<LI><A HREF = "fix_nve_gran.html">fix nve/gran</A> - NVE for granular particles
		<LI><A HREF = "fix_nve_limit.html">fix nve/limit</A> - NVE with limited step length
		<LI><A HREF = "fix_nve_noforce.html">fix nve/noforce</A> - NVE without forces (v only)
		<LI><A HREF = "fix_nvt.html">fix nvt</A> - constant NVT time integration via Nose/Hoover
		<LI><A HREF = "fix_nvt_asphere.html">fix nvt/asphere</A> - NVT for aspherical particles

doc/fix.txt

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		@@ -98,6 +98,7 @@ Here is an alphabetic list of fix styles available in LAMMPS:
		"fix nve/asphere"_fix_nve_asphere.html - NVT for aspherical particles
		"fix nve/dipole"_fix_nve_dipole.html - NVE for point dipolar particles
		"fix nve/gran"_fix_nve_gran.html - NVE for granular particles
		"fix nve/limit"_fix_nve_limit.html - NVE with limited step length
		"fix nve/noforce"_fix_nve_noforce.html - NVE without forces (v only)
		"fix nvt"_fix_nvt.html - constant NVT time integration via Nose/Hoover
		"fix nvt/asphere"_fix_nvt_asphere.html - NVT for aspherical particles

doc/fix_nve_limit.html

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		<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/limit command
		</H3>
		<P><B>Syntax:</B>
		</P>
		<PRE>fix ID group-ID nve/limit xmax
		</PRE>
		<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
		<LI>nve = style name of this fix command
		<LI>xmax = maximum distance an atom can move in one timestep (distance units)
		</UL>
		<P><B>Examples:</B>
		</P>
		<PRE>fix 1 all nve/limit 0.1
		</PRE>
		<P><B>Description:</B>
		</P>
		<P>Perform constant NVE updates of position and velocity for atoms in the
		group each timestep. A limit is imposed on the maximum distance an
		atom can move in one timestep. This is useful when starting a
		simulation with a configuration containing highly overlapped atoms.
		Normally this would generate huge forces which would blow atoms out of
		the simulation box, causing LAMMPS to stop with an error.
		</P>
		<P>Using this fix can overcome that problem. Forces on atoms must still
		be computable (which typically means 2 atoms must have a separation
		distance > 0.0). But large velocities generated by large forces are
		reset to a value that corresponds to a displacement of length <I>xmax</I>
		in a single timestep. <I>Xmax</I> is specified in distance units; see the
		<A HREF = "units.html">units</A> command for details. The value of <I>xmax</I> should be
		consistent with the neighbor skin distance and the frequency of
		neighbor list re-building, so that pairwise interactions are not
		missed on successive timesteps as atoms move. See the
		<A HREF = "neighbor.html">neighbor</A> and <A HREF = "neigh_modify.html">neigh_modify</A> commands
		for details.
		</P>
		<P>Note that if a velocity reset occurs the integrator will not conserve
		energy. On steps where no velocity resets occur, this integrator is
		exactly like the <A HREF = "fix_nve.html">fix nve</A> command. Since forces are
		unaltered, pressures computed by thermodynamic output will still be
		very large for overlapped configurations.
		</P>
		<P><B>Restart, fix_modify, thermo 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 quantities calculated by this fix can be
		output by the <A HREF = "thermo_style.html">thermo_style custom</A> command. 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> none
		</P>
		<P><B>Related commands:</B>
		</P>
		<P><A HREF = "fix_nve.html">fix nve</A>, <A HREF = "fix_nve_noforce.html">fix nve/noforce</A>,
		<A HREF = "pair_soft.html">pair_style soft</A>
		</P>
		<P><B>Default:</B> none
		</P>
		</HTML>

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