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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@673 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2007-06-26 00:03:39 +00:00
parent 7f2abdaa72
commit fad7f900cd
185 changed files with 3343 additions and 926 deletions
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doc/fix_msd.html
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@ -33,6 +33,22 @@ proportional to the diffusion coefficient of the diffusing atoms. The
"origin" of the displacement for each atom is its position at the time
the fix command was issued. Write the results to the specified file.
</P>
<P><B>Restart, fix_modify, thermo output, run start/stop, minimize info:</B>
</P>
<P>This fix writes the original coordinates of diffusing atoms to <A HREF = "restart.html">binary
restart files</A>, so that the mean-squared displacement
will be accurate in a restarted simulation. See the
<A HREF = "read_restart.html">read_restart</A> command for info on how to re-specify
a fix in an input script that reads a restart file, so that the
operation of the fix continues in an uninterrupted fashion.
</P>
<P>None of the <A HREF = "fix_modify.html">fix_modify</A> options are relevant to this
fix. No quantities calculated by this fix can be output by the
<A HREF = "thermo_style.html">thermo_style custom</A> command. No parameter of this
fix can be used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A>
command. This fix is not invoked during <A HREF = "minimize.html">energy
minimization</A>.
</P>
<P><B>Restrictions:</B> none
</P>
<P><B>Related commands:</B> none