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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11698 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2014-04-04 16:32:17 +00:00
parent c068542357
commit 0aae09bf79
2 changed files with 32 additions and 10 deletions
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21
doc/fix_recenter.html
View File

@ -99,11 +99,22 @@ to tether the molecule in place.
</P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart
files</A>. None of the <A HREF = "fix_modify.html">fix_modify</A> options
are relevant to this fix. No global or per-atom quantities are stored
by this fix for access by various <A HREF = "Section_howto.html#howto_15">output
commands</A>. 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>.
are relevant to this fix.
</P>
<P>This fix computes a global scalar which can be accessed by various
<A HREF = "Section_howto.html#howto_15">output commands</A>. The scalar is the
distance the group is moved by fix recenter.
</P>
<P>This fix also computes global 3-vector which can be accessed by
various <A HREF = "Section_howto.html#howto_15">output commands</A>. The 3
quantities in the vector are xyz components of displacement applied to
the group of atoms by the fix.
</P>
<P>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. This fix is not invoked during <A HREF = "minimize.html">energy
minimization</A>.
</P>
<P><B>Restrictions:</B>
</P>

21
doc/fix_recenter.txt
View File

@ -91,11 +91,22 @@ to tether the molecule in place.
No information about this fix is written to "binary restart
files"_restart.html. None of the "fix_modify"_fix_modify.html options
are relevant to this fix. No global or per-atom quantities are stored
by this fix for access by various "output
commands"_Section_howto.html#howto_15. No parameter of this fix can
be used with the {start/stop} keywords of the "run"_run.html command.
This fix is not invoked during "energy minimization"_minimize.html.
are relevant to this fix.
This fix computes a global scalar which can be accessed by various
"output commands"_Section_howto.html#howto_15. The scalar is the
distance the group is moved by fix recenter.
This fix also computes global 3-vector which can be accessed by
various "output commands"_Section_howto.html#howto_15. The 3
quantities in the vector are xyz components of displacement applied to
the group of atoms by the fix.
The scalar and vector values calculated by this fix are "extensive".
No parameter of this fix can be used with the {start/stop} keywords of
the "run"_run.html command. This fix is not invoked during "energy
minimization"_minimize.html.
[Restrictions:]