(e38d289f) · Commits · 郑智淋 / lammps

doc/fix_momentum.html

+7 −4

Original line number	Diff line number	Diff line
		@@ -19,7 +19,8 @@

		<LI>momentum = style name of this fix command

		<LI>one or more keyword/value pairs may be appended to the args
		<LI>N = adjust the momentum every this many timesteps
		one or more keyword/value pairs may be appended to the args

		<LI>keyword = <I>linear</I> or <I>angular</I>

		@@ -31,12 +32,14 @@
		</UL>
		<P><B>Examples:</B>
		</P>
		<PRE>fix 1 all momentum 1 linear 1 1 0 angular
		<PRE>fix 1 all momentum 1 linear 1 1 0
		fix 1 all momentum 100 linear 1 1 1 angular
		</PRE>
		<P><B>Description:</B>
		</P>
		<P>Zero the linear and/or angular momentum of the group of atoms every N
		timesteps by adjusting the velocities of the atoms.
		timesteps by adjusting the velocities of the atoms. One (or both) of
		the <I>linear</I> or <I>angular</I> keywords must be specified.
		</P>
		<P>If the <I>linear</I> keyword is used, the linear momentum is zeroed by
		subtracting the center-of-mass velocity of the group from each atom.
		@@ -53,7 +56,7 @@ to random perturbations (e.g. <A HREF = "fix_langevin.html">fix langevin</A>
		thermostatting).
		</P>
		<P>Note that the <A HREF = "velocity.html">velocity</A> command can be used to create
		velocities with zero aggregate linear and/or angular momentum.
		initial velocities with zero aggregate linear and/or angular momentum.
		</P>
		<P><B>Restrictions:</B> none
		</P>

+6 −4

Original line number	Diff line number	Diff line
		@@ -14,7 +14,7 @@ fix ID group-ID momentum N keyword values ... :pre

		ID, group-ID are documented in "fix"_fix.html command :ulb,l
		momentum = style name of this fix command :l

		N = adjust the momentum every this many timesteps
		one or more keyword/value pairs may be appended to the args :l
		keyword = {linear} or {angular} :l
		{linear} values = xflag yflag zflag
		@@ -24,12 +24,14 @@ keyword = {linear} or {angular} :l

		[Examples:]

		fix 1 all momentum 1 linear 1 1 0 angular :pre
		fix 1 all momentum 1 linear 1 1 0
		fix 1 all momentum 100 linear 1 1 1 angular :pre

		[Description:]

		Zero the linear and/or angular momentum of the group of atoms every N
		timesteps by adjusting the velocities of the atoms.
		timesteps by adjusting the velocities of the atoms. One (or both) of
		the {linear} or {angular} keywords must be specified.

		If the {linear} keyword is used, the linear momentum is zeroed by
		subtracting the center-of-mass velocity of the group from each atom.
		@@ -46,7 +48,7 @@ to random perturbations (e.g. "fix langevin"_fix_langevin.html
		thermostatting).

		Note that the "velocity"_velocity.html command can be used to create
		velocities with zero aggregate linear and/or angular momentum.
		initial velocities with zero aggregate linear and/or angular momentum.

		[Restrictions:] none

+4 −1

Original line number	Diff line number	Diff line
		@@ -33,7 +33,10 @@
		</UL>
		<P><B>Examples:</B>
		</P>
		<PRE>fix 1 all recenter 1 1 1 0
		<PRE>fix 1 all recenter 0.0 0.5 0.0
		</PRE>
		<PRE>fix 1 all recenter INIT INIT NULL
		fix 1 all recenter INIT 0.0 0.0 units box
		</PRE>
		<P><B>Description:</B>
		</P>

+3 −1

Original line number	Diff line number	Diff line
		@@ -25,7 +25,9 @@ keyword = {shift} or {units} :l

		[Examples:]

		fix 1 all recenter 1 1 1 0 :pre
		fix 1 all recenter 0.0 0.5 0.0 :pre
		fix 1 all recenter INIT INIT NULL
		fix 1 all recenter INIT 0.0 0.0 units box :pre

		[Description:]

+1 −1

Original line number	Diff line number	Diff line
		@@ -27,7 +27,7 @@

		FixMomentum::FixMomentum(int narg, char **arg) : Fix(narg, arg)
		{
		if (narg != 7) error->all("Illegal fix momentum command");
		if (narg < 4) error->all("Illegal fix momentum command");
		nevery = atoi(arg[3]);
		if (nevery <= 0) error->all("Illegal fix momentum command");