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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1065 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp 2007-10-19 00:33:05 +00:00
parent 62dd2c2e40
commit b25b2a4bfd
2 changed files with 22 additions and 10 deletions
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16
doc/fix_ave_spatial.html
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@ -13,7 +13,7 @@
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID ave/spatial Nevery Nrepeat Nfreq dim origin delta file style args keyword value ...
<PRE>fix ID group-ID ave/spatial Nevery Nrepeat Nfreq dim origin delta style arg keyword args ...
</PRE>
<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
@ -39,12 +39,12 @@
<I>compute</I> arg = compute-ID that stores or calculates per-atom quantities
<I>fix</I> arg = fix-ID that stores or calculates per-atom quantities
</PRE>
<LI>zero or more keyword/value pairs may be appended
<LI>zero or more keyword/arg pairs may be appended
<LI>keyword = <I>norm</I> or <I>units</I> or <I>file</I> or <I>ave</I>
<PRE> <I>units</I> value = <I>box</I> or <I>lattice</I> or <I>reduced</I>
<I>norm</I> value = <I>all</I> or <I>sample</I>
<PRE> <I>units</I> arg = <I>box</I> or <I>lattice</I> or <I>reduced</I>
<I>norm</I> arg = <I>all</I> or <I>sample</I>
<I>file</I> arg = filename
filename = file to write results to
<I>ave</I> args = <I>one</I> or <I>running</I> or <I>window M</I>
@ -261,7 +261,13 @@ nvalues + 1 and J = N % nvalues + 1.
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><B>Restrictions:</B>
</P>
<P>When the <I>ave</I> keyword is set to <I>running</I> or <I>window</I> then the number
of layers must remain the same during the simulation, so that the
appropriate averaging can be done. This will be the case if the
simulation box size doesn't change or if the <I>units</I> keyword is set to
<I>reduced</I>.
</P>
<P><B>Related commands:</B>
</P>

16
doc/fix_ave_spatial.txt
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@ -10,7 +10,7 @@ fix ave/spatial command :h3
[Syntax:]
fix ID group-ID ave/spatial Nevery Nrepeat Nfreq dim origin delta file style args keyword value ... :pre
fix ID group-ID ave/spatial Nevery Nrepeat Nfreq dim origin delta style arg keyword args ... :pre
ID, group-ID are documented in "fix"_fix.html command :ulb,l
ave/spatial = style name of this fix command :l
@ -26,10 +26,10 @@ style = {density} or {compute} or {fix} :l
{number} = calculate number density
{compute} arg = compute-ID that stores or calculates per-atom quantities
{fix} arg = fix-ID that stores or calculates per-atom quantities :pre
zero or more keyword/value pairs may be appended :l
zero or more keyword/arg pairs may be appended :l
keyword = {norm} or {units} or {file} or {ave} :l
{units} value = {box} or {lattice} or {reduced}
{norm} value = {all} or {sample}
{units} arg = {box} or {lattice} or {reduced}
{norm} arg = {all} or {sample}
{file} arg = filename
filename = file to write results to
{ave} args = {one} or {running} or {window M}
@ -245,7 +245,13 @@ 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:] none
[Restrictions:]
When the {ave} keyword is set to {running} or {window} then the number
of layers must remain the same during the simulation, so that the
appropriate averaging can be done. This will be the case if the
simulation box size doesn't change or if the {units} keyword is set to
{reduced}.
[Related commands:]