From b25b2a4bfd81b84fc3e2be184b061fec37e3d643 Mon Sep 17 00:00:00 2001
From: sjplimp Syntax:
fix ID group-ID ave/spatial Nevery Nrepeat Nfreq dim origin delta file style args keyword value ...
+
fix ID group-ID ave/spatial Nevery Nrepeat Nfreq dim origin delta style arg keyword args ...
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
@@ -261,7 +261,13 @@ nvalues + 1 and J = N % nvalues + 1.
the run command. This fix is not invoked during energy
minimization.
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:
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:]