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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8926 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2012-10-09 16:01:51 +00:00
parent 9266997555
commit 19504c309f
2 changed files with 39 additions and 10 deletions
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25
doc/fix_wall.html
View File

@ -47,7 +47,11 @@
<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
<I>no</I> = invoke the wall constraint in the normal way
</PRE>
<PRE> <I>pbc</I> value = <I>yes</I> or <I>no</I>
<I>yes</I> = allow periodic boundary in a wall dimension
<I>no</I> = require non-perioidic boundaries in any wall dimension
</PRE>
</UL>
@ -173,6 +177,19 @@ 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>
<P>The <I>pbc</I> keyword can be used with a <I>yes</I> setting to allow walls to
be specified in a periodic dimension. See the
<A HREF = "boundary.html">boundary</A> command for options on simulation box
boundaries. The default for <I>pbc</I> is <I>no</I>, which means the system
must be non-periodic when using a wall. But you may wish to use a
periodic box. E.g. to allow some particles to interact with the wall
via the fix group-ID, and others to pass through it and wrap around a
periodic box. In this case you should insure that the wall if
sufficiently far enough away from the box boundary. If you do not,
then particles may interact with both the wall and with periodic
images on the other side of the box, which is probably not what you
want.
</P>
<HR>
<P>Here are examples of variable definitions that move the wall position
@ -243,9 +260,7 @@ included in the total potential energy of the system (the quantity
being minimized), you MUST enable the <A HREF = "fix_modify.html">fix_modify</A>
<I>energy</I> option for this fix.
</P>
<P><B>Restrictions:</B>
</P>
<P>Any dimension (xyz) that has a wall must be non-periodic.
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B>
</P>
@ -255,6 +270,6 @@ being minimized), you MUST enable the <A HREF = "fix_modify.html">fix_modify</A>
</P>
<P><B>Default:</B>
</P>
<P>The option defaults are no velocity, no wiggle, and units = lattice.
<P>The option defaults units = lattice, fld = no, and pbc = no.
</P>
</HTML>

24
doc/fix_wall.txt
View File

@ -34,7 +34,10 @@ keyword = {units} or {fld} :l
{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
{no} = invoke the wall constraint in the normal way :pre
{pbc} value = {yes} or {no}
{yes} = allow periodic boundary in a wall dimension
{no} = require non-perioidic boundaries in any wall dimension :pre
:ule
[Examples:]
@ -159,6 +162,19 @@ to include the wall force in its calculations. If the setting is
{no}, wall forces are imposed after pairwise interactions, in the
usual manner.
The {pbc} keyword can be used with a {yes} setting to allow walls to
be specified in a periodic dimension. See the
"boundary"_boundary.html command for options on simulation box
boundaries. The default for {pbc} is {no}, which means the system
must be non-periodic when using a wall. But you may wish to use a
periodic box. E.g. to allow some particles to interact with the wall
via the fix group-ID, and others to pass through it and wrap around a
periodic box. In this case you should insure that the wall if
sufficiently far enough away from the box boundary. If you do not,
then particles may interact with both the wall and with periodic
images on the other side of the box, which is probably not what you
want.
:line
Here are examples of variable definitions that move the wall position
@ -229,9 +245,7 @@ included in the total potential energy of the system (the quantity
being minimized), you MUST enable the "fix_modify"_fix_modify.html
{energy} option for this fix.
[Restrictions:]
Any dimension (xyz) that has a wall must be non-periodic.
[Restrictions:] none
[Related commands:]
@ -241,4 +255,4 @@ Any dimension (xyz) that has a wall must be non-periodic.
[Default:]
The option defaults are no velocity, no wiggle, and units = lattice.
The option defaults units = lattice, fld = no, and pbc = no.