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

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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
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@ -99,11 +99,22 @@ to tether the molecule in place.
</P> </P>
<P>No information about this fix is written to <A HREF = "restart.html">binary restart <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 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 are relevant to this fix.
by this fix for access by various <A HREF = "Section_howto.html#howto_15">output </P>
commands</A>. No parameter of this fix can <P>This fix computes a global scalar which can be accessed by various
be used with the <I>start/stop</I> keywords of the <A HREF = "run.html">run</A> command. <A HREF = "Section_howto.html#howto_15">output commands</A>. The scalar is the
This fix is not invoked during <A HREF = "minimize.html">energy minimization</A>. 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>
<P><B>Restrictions:</B> <P><B>Restrictions:</B>
</P> </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 No information about this fix is written to "binary restart
files"_restart.html. None of the "fix_modify"_fix_modify.html options 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 are relevant to this fix.
by this fix for access by various "output
commands"_Section_howto.html#howto_15. No parameter of this fix can This fix computes a global scalar which can be accessed by various
be used with the {start/stop} keywords of the "run"_run.html command. "output commands"_Section_howto.html#howto_15. The scalar is the
This fix is not invoked during "energy minimization"_minimize.html. 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:] [Restrictions:]