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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5414 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2010-12-20 15:45:02 +00:00
parent 676e239301
commit 94d3b7fb0e
2 changed files with 14 additions and 10 deletions
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12
doc/fix_setforce.html
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@ -44,7 +44,9 @@ fix 2 edge setforce NULL 0.0 v_oscillate
values fx,fy,fz. This erases all previously computed forces on the
atom, though additional fixes could add new forces. This command can
be used to freeze certain atoms in the simulation by zeroing their
force, assuming their initial velocity zero.
force, either for running dynamics or performing an energy
minimization. For dynamics, this assumes their initial velocity is
also zero.
</P>
<P>Any of the fx,fy,fz values can be specified as NULL which means do not
alter the force component in that dimension.
@ -86,10 +88,10 @@ fix are "extensive".
the <A HREF = "run.html">run</A> command.
</P>
<P>The forces due to this fix are imposed during an energy minimization,
invoked by the <A HREF = "minimize.html">minimize</A> command. You should not
specify force components with a variable that has time-dependence for
use with a minimizer, since the minimizer increments the timestep as
the iteration count during the minimization.
invoked by the <A HREF = "minimize.html">minimize</A> command, but you cannot set
forces to any value besides zero when performing a minimization. Use
the <A HREF = "fix_addforce.html">fix addforce</A> command if you want to apply a
non-zero force to atoms during a minimization.
</P>
<P><B>Restrictions:</B> none
</P>

12
doc/fix_setforce.txt
View File

@ -34,7 +34,9 @@ Set each component of force on each atom in the group to the specified
values fx,fy,fz. This erases all previously computed forces on the
atom, though additional fixes could add new forces. This command can
be used to freeze certain atoms in the simulation by zeroing their
force, assuming their initial velocity zero.
force, either for running dynamics or performing an energy
minimization. For dynamics, this assumes their initial velocity is
also zero.
Any of the fx,fy,fz values can be specified as NULL which means do not
alter the force component in that dimension.
@ -76,10 +78,10 @@ No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command.
The forces due to this fix are imposed during an energy minimization,
invoked by the "minimize"_minimize.html command. You should not
specify force components with a variable that has time-dependence for
use with a minimizer, since the minimizer increments the timestep as
the iteration count during the minimization.
invoked by the "minimize"_minimize.html command, but you cannot set
forces to any value besides zero when performing a minimization. Use
the "fix addforce"_fix_addforce.html command if you want to apply a
non-zero force to atoms during a minimization.
[Restrictions:] none