git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3115 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2009-08-19 17:24:02 +00:00
parent f785919592
commit da4021ff4a
4 changed files with 42 additions and 30 deletions

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@ -95,12 +95,12 @@ is specified as <I>hi</I>.
</P>
<P>If the <I>vel</I> keyword is specified, the center (or axis or position) of
the spherical (or cylindrical or planar) indenter will move during the
simulation, based on its initial position (x,y,z) and the specified
(vx,vy,vz). Note that if you do multiple runs, the initial position
of the indenter (x,y,z) does not change, so it will continue to move
at the specified velocity. For periodic systems and spherical or
cylindrical indenters, the new position of the center or axis is
wrapped back into the periodic box as needed.
simulation, based on its initial position (x,y,z), the specified
(vx,vy,vz), and the time elapsed since the beginning of the
simulation. For periodic systems and spherical or cylindrical
indenters, the new position of the center or axis is wrapped back into
the periodic box as needed. See the note below about making the
indenter move continuously across multiple runs.
</P>
<P>If the <I>rstart</I> keyword is specified, then the radius of the indenter
is a time-dependent quantity. This only applies to spherical or
@ -108,6 +108,8 @@ cylindrical indenters. R0 is the value assigned at the start of the
run; R is the value at the end. At intermediate times, the radius is
linearly interpolated between these two values. This option can be
used, for example, to grow/shrink a void within the simulation box.
See the note below about making the radius change continuously across
multiple runs.
</P>
<P>If the <I>side</I> keyword is specified as <I>out</I>, which is the default,
then particles outside the indenter are pushded away from its outer
@ -148,7 +150,9 @@ number of atoms in the simulation.
<P>This fix can adjust the indenter position and radius over multiple
runs, using the <I>start</I> and <I>stop</I> keywords of the <A HREF = "run.html">run</A>
command. See the <A HREF = "run.html">run</A> command for details of how to do
this.
this. If you do not do this, the indenter position and readius will
be reset to their specified initial values 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. The <I>rstart</I> keyword

View File

@ -86,12 +86,12 @@ is specified as {hi}.
If the {vel} keyword is specified, the center (or axis or position) of
the spherical (or cylindrical or planar) indenter will move during the
simulation, based on its initial position (x,y,z) and the specified
(vx,vy,vz). Note that if you do multiple runs, the initial position
of the indenter (x,y,z) does not change, so it will continue to move
at the specified velocity. For periodic systems and spherical or
cylindrical indenters, the new position of the center or axis is
wrapped back into the periodic box as needed.
simulation, based on its initial position (x,y,z), the specified
(vx,vy,vz), and the time elapsed since the beginning of the
simulation. For periodic systems and spherical or cylindrical
indenters, the new position of the center or axis is wrapped back into
the periodic box as needed. See the note below about making the
indenter move continuously across multiple runs.
If the {rstart} keyword is specified, then the radius of the indenter
is a time-dependent quantity. This only applies to spherical or
@ -99,6 +99,8 @@ cylindrical indenters. R0 is the value assigned at the start of the
run; R is the value at the end. At intermediate times, the radius is
linearly interpolated between these two values. This option can be
used, for example, to grow/shrink a void within the simulation box.
See the note below about making the radius change continuously across
multiple runs.
If the {side} keyword is specified as {out}, which is the default,
then particles outside the indenter are pushded away from its outer
@ -139,7 +141,9 @@ number of atoms in the simulation.
This fix can adjust the indenter position and radius over multiple
runs, using the {start} and {stop} keywords of the "run"_run.html
command. See the "run"_run.html command for details of how to do
this.
this. If you do not do this, the indenter position and readius will
be reset to their specified initial values 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. The {rstart} keyword

View File

@ -62,12 +62,12 @@ wall/lj126</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>
@ -85,8 +85,10 @@ 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.

View File

@ -49,12 +49,12 @@ 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:]
@ -72,8 +72,10 @@ 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.