From b25b2a4bfd81b84fc3e2be184b061fec37e3d643 Mon Sep 17 00:00:00 2001 From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa> Date: Fri, 19 Oct 2007 00:33:05 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1065 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/fix_ave_spatial.html | 16 +++++++++++----- doc/fix_ave_spatial.txt | 16 +++++++++++----- 2 files changed, 22 insertions(+), 10 deletions(-) diff --git a/doc/fix_ave_spatial.html b/doc/fix_ave_spatial.html index ac8b182126..8848315c53 100644 --- a/doc/fix_ave_spatial.html +++ b/doc/fix_ave_spatial.html @@ -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> diff --git a/doc/fix_ave_spatial.txt b/doc/fix_ave_spatial.txt index 16ff24abad..924c1ffe7e 100644 --- a/doc/fix_ave_spatial.txt +++ b/doc/fix_ave_spatial.txt @@ -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:] -- GitLab