Commit aa209c80 authored by sjplimp's avatar sjplimp
Browse files

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5072 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent c186844b
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+7 −0
Original line number Diff line number Diff line
@@ -1254,6 +1254,12 @@ info, etc) and stores the values in a local vector or array. These
are produced as output values which can be used as input to other
output commands.
</P>
<P>The <A HREF = "compute_atom_molecule.html">compute atom/molecule</A> command takes a
list of one or more per-atom quantities (from a compute, fix, per-atom
variable) and sums the quantities on a per-molecule basis.  It
produces a global vector or array as output values which can be used
as input to other output commands.
</P>
<H5><A NAME = "fixoutput"></A>Fixes that process output quantities 
</H5>
<P>The <A HREF = "fix_ave_atom.html">fix ave/atom</A> command performs time-averaging
@@ -1330,6 +1336,7 @@ vector input could be a column of an array.
<TR><TD ><A HREF = "compute_reduce.html">compute reduce</A></TD><TD > per-atom/local vectors</TD><TD > global scalar/vector</TD><TD ></TD></TR>
<TR><TD ><A HREF = "compute_property_atom.html">compute property/atom</A></TD><TD > per-atom vectors</TD><TD > per-atom vector/array</TD><TD ></TD></TR>
<TR><TD ><A HREF = "compute_property_local.html">compute property/local</A></TD><TD > local vectors</TD><TD > local vector/array</TD><TD ></TD></TR>
<TR><TD ><A HREF = "compute_atom_molecule.html">compute atom/molecule</A></TD><TD > per-atom vectors</TD><TD > global vector/array</TD><TD ></TD></TR>
<TR><TD ><A HREF = "fix_ave_atom.html">fix ave/atom</A></TD><TD > per-atom vectors</TD><TD > per-atom vector/array</TD><TD ></TD></TR>
<TR><TD ><A HREF = "fix_ave_time.html">fix ave/time</A></TD><TD > global scalars/vectors</TD><TD > global scalar/vector/array, file</TD><TD ></TD></TR>
<TR><TD ><A HREF = "fix_ave_spatial.html">fix ave/spatial</A></TD><TD > per-atom vectors</TD><TD > global array, file</TD><TD ></TD></TR>
+7 −0
Original line number Diff line number Diff line
@@ -1244,6 +1244,12 @@ info, etc) and stores the values in a local vector or array. These
are produced as output values which can be used as input to other
output commands.

The "compute atom/molecule"_compute_atom_molecule.html command takes a
list of one or more per-atom quantities (from a compute, fix, per-atom
variable) and sums the quantities on a per-molecule basis.  It
produces a global vector or array as output values which can be used
as input to other output commands.

Fixes that process output quantities :h5,link(fixoutput)

The "fix ave/atom"_fix_ave_atom.html command performs time-averaging
@@ -1319,6 +1325,7 @@ Command: Input: Output:
"compute reduce"_compute_reduce.html: per-atom/local vectors: global scalar/vector:
"compute property/atom"_compute_property_atom.html: per-atom vectors: per-atom vector/array:
"compute property/local"_compute_property_local.html: local vectors: local vector/array:
"compute atom/molecule"_compute_atom_molecule.html: per-atom vectors: global vector/array:
"fix ave/atom"_fix_ave_atom.html: per-atom vectors: per-atom vector/array:
"fix ave/time"_fix_ave_time.html: global scalars/vectors: global scalar/vector/array, file:
"fix ave/spatial"_fix_ave_spatial.html: per-atom vectors: global array, file: