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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3116 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-08-19 17:25:25 +00:00
parent da4021ff4a
commit e5e065628d
2 changed files with 20 additions and 16 deletions
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18
doc/fix_wall_lj126.html
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@ -61,12 +61,12 @@ provided by the <A HREF = "fix_wall_lj93.html">fix wall/lj93</A> command.
interaction is 0.0 at the cutoff distance.
</P>
<P>If the <I>vel</I> keyword is specified, the position of wall will move
during the simulation, based on its initial position (coord) and the
specified velocity (vel). <I>Xlo</I> or <I>xhi</I> walls move in the x
direction with whatever sign you give the <I>v</I> argument. Ditto for <I>y</I>
and <I>z</I> walls. Note that if you do multiple runs, the initial
position of the wall does not change, so it will continue to move at
the specified velocity.
during the simulation, based on its initial position (coord), the
specified velocity (vel), and the time elapsed since the beginning of
the simulation. <I>Xlo</I> or <I>xhi</I> walls move in the x direction with
whatever sign you give the <I>v</I> argument. Ditto for <I>y</I> and <I>z</I> walls.
See the note below about making the wall move continuously across
multiple runs.
</P>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
@ -84,8 +84,10 @@ commands</A>. The scalar and vector values
calculated by this fix are "extensive", meaning they scale with the
number of atoms in the simulation.
</P>
<P>No parameter of this fix can be used with the <I>start/stop</I> keywords of
the <A HREF = "run.html">run</A> command.
<P>This fix can change the position of the wall, due to the <I>vel</I>
keyword, continuously over multiple runs, using the <I>start</I> and <I>stop</I>
keywords of the <A HREF = "run.html">run</A> command. If you do not do this, the
wall position will be reset to <I>coord</I> at the beginning of each run.
</P>
<P>The forces due to this fix are imposed during an energy minimization,
invoked by the <A HREF = "minimize.html">minimize</A> command.

18
doc/fix_wall_lj126.txt
View File

@ -48,12 +48,12 @@ The wall potential is shifted so that the energy of a wall-particle
interaction is 0.0 at the cutoff distance.
If the {vel} keyword is specified, the position of wall will move
during the simulation, based on its initial position (coord) and the
specified velocity (vel). {Xlo} or {xhi} walls move in the x
direction with whatever sign you give the {v} argument. Ditto for {y}
and {z} walls. Note that if you do multiple runs, the initial
position of the wall does not change, so it will continue to move at
the specified velocity.
during the simulation, based on its initial position (coord), the
specified velocity (vel), and the time elapsed since the beginning of
the simulation. {Xlo} or {xhi} walls move in the x direction with
whatever sign you give the {v} argument. Ditto for {y} and {z} walls.
See the note below about making the wall move continuously across
multiple runs.
[Restart, fix_modify, output, run start/stop, minimize info:]
@ -71,8 +71,10 @@ commands"_Section_howto.html#4_15. The scalar and vector values
calculated by this fix are "extensive", meaning they scale with the
number of atoms in the simulation.
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command.
This fix can change the position of the wall, due to the {vel}
keyword, continuously over multiple runs, using the {start} and {stop}
keywords of the "run"_run.html command. If you do not do this, the
wall position will be reset to {coord} at the beginning of each run.
The forces due to this fix are imposed during an energy minimization,
invoked by the "minimize"_minimize.html command.