git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4030 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2010-04-23 14:25:37 +00:00
parent 00eca36fe5
commit 5cec3a60d2
4 changed files with 40 additions and 9 deletions

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@ -68,6 +68,8 @@ field with optional time-dependence as well.
specified geometric <A HREF = "region.html">region</A> in order to have force added
to it.
</P>
<HR>
<P>Adding a force to atoms implies a change in their potential energy as
they move due to the applied force field. For dynamics via the "run"
command, this energy can be optionally added to the system's potential
@ -98,8 +100,10 @@ atom as function of its position. Unlike variables used for <I>fx</I>,
<P>Note that when the <I>energy</I> keyword is used during an energy
minimization, you must insure that the formula defined for the
atom-style <A HREF = "variable.html">variable</A> is consistent with the force
variable formulas, i.e. that -Grad(E) = F. If you don't, the
minimization will not converge properly.
variable formulas, i.e. that -Grad(E) = F. For example, if the force
were a spring-like F = kx, then the energy formula should be E =
-0.5kx^2. If you don't do this correctly, the minimization will not
converge properly.
</P>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>

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@ -58,6 +58,8 @@ If the {region} keyword is used, the atom must also be in the
specified geometric "region"_region.html in order to have force added
to it.
:line
Adding a force to atoms implies a change in their potential energy as
they move due to the applied force field. For dynamics via the "run"
command, this energy can be optionally added to the system's potential

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@ -15,10 +15,22 @@
</P>
<PRE>fix ID group-ID setforce fx fy fz
</PRE>
<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
<LI>setforce = style name of this fix command
<LI>fx,fy,fz = force component values
<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
<LI>setforce = style name of this fix command
<LI>fx,fy,fz = force component values
<LI>any of fx,fy,fz can be a variable (see below)
<LI>zero or more keyword/value pairs may be appended to args
<LI>keyword = <I>region</I>
<PRE> <I>region</I> value = region-ID
region-ID = ID of region atoms must be in to have added force
</PRE>
</UL>
<P><B>Examples:</B>
</P>
@ -54,6 +66,10 @@ variables but can also include per-atom values, such as atom
coordinates. Thus it is easy to specify a spatially-dependent force
field with optional time-dependence as well.
</P>
<P>If the <I>region</I> keyword is used, the atom must also be in the
specified geometric <A HREF = "region.html">region</A> in order to have force added
to it.
</P>
<P><B>Restart, fix_modify, output, run start/stop, minimize info:</B>
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart

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@ -12,10 +12,15 @@ fix setforce command :h3
fix ID group-ID setforce fx fy fz :pre
ID, group-ID are documented in "fix"_fix.html command
setforce = style name of this fix command
fx,fy,fz = force component values
any of fx,fy,fz can be a variable (see below) :ul
ID, group-ID are documented in "fix"_fix.html command :ulb,l
setforce = style name of this fix command :l
fx,fy,fz = force component values :l
any of fx,fy,fz can be a variable (see below) :l
zero or more keyword/value pairs may be appended to args :l
keyword = {region} :l
{region} value = region-ID
region-ID = ID of region atoms must be in to have added force :pre
:ule
[Examples:]
@ -51,6 +56,10 @@ variables but can also include per-atom values, such as atom
coordinates. Thus it is easy to specify a spatially-dependent force
field with optional time-dependence as well.
If the {region} keyword is used, the atom must also be in the
specified geometric "region"_region.html in order to have force added
to it.
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart