git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5174 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2010-10-27 20:54:22 +00:00
parent f2b88626a0
commit 31a310e588
8 changed files with 168 additions and 134 deletions

View File

@ -210,17 +210,16 @@ fix to add the energy of interaction between atoms and each wall to
the system's potential energy as part of <A HREF = "thermo_style.html">thermodynamic
output</A>.
</P>
<P>This fix computes a global scalar energy and a global 6-length vector
of forces (one force magnitude per wall), which can be accessed by
various <A HREF = "Section_howto.html#4_15">output commands</A>. Note that the
scalar energy is the sum of interactions with all defined walls. If
you want the energy on a per-wall basis, you need to use multiple fix
wall commands. The 6 vector quantities are the force on the <I>xlo</I>
wall, the <I>xhi</I> wall, <I>ylo</I>, <I>yhi</I>, <I>zlo</I>, <I>zhi</I>. These values will
only be non-zero if the corresponding wall is defined. Note that an
outward force on a wall will be a negative value for <I>lo</I> walls and a
positive value for <I>hi</I> walls. The scalar and vector values
calculated by this fix are "extensive".
<P>This fix computes a global scalar energy and a global vector of
forces, which can be accessed by various <A HREF = "Section_howto.html#4_15">output
commands</A>. Note that the scalar energy is the
sum of interactions with all defined walls. If you want the energy on
a per-wall basis, you need to use multiple fix wall commands. The
length of the vector is equal to the number of walls defined by the
fix. Each vector value is the normal force on a specific wall. Note
that an outward force on a wall will be a negative value for <I>lo</I>
walls and a positive value for <I>hi</I> walls. The scalar and vector
values calculated by this fix are "extensive".
</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.
@ -237,9 +236,6 @@ being minimized), you MUST enable the <A HREF = "fix_modify.html">fix_modify</A>
</P>
<P>Any dimension (xyz) that has a wall must be non-periodic.
</P>
<P>You cannot use both the <I>vel</I> and either of the <I>wiggle</I> keywords
together.
</P>
<P><B>Related commands:</B>
</P>
<P><A HREF = "fix_wall_reflect.html">fix wall/reflect</A>,