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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13104 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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2015-02-13 20:28:48 +00:00
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doc/fix_ave_chunk.html
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@ -72,7 +72,7 @@
</UL>
<P><B>Examples:</B>
</P>
<PRE>fix 1 all ave/chunk 10000 1 10000 binchunk c_myCentro ttle1 "My output values"
<PRE>fix 1 all ave/chunk 10000 1 10000 binchunk c_myCentro title1 "My output values"
fix 1 flow ave/chunk 100 10 1000 molchunk vx vz norm sample file vel.profile
fix 1 flow ave/chunk 100 5 1000 binchunk density/mass ave running
fix 1 flow ave/chunk 100 5 1000 binchunk density/mass ave running
@ -95,11 +95,11 @@ fix 1 flow ave/chunk 100 10 1000 cc1 vx vz norm sample file vel.profile
<P><B>Description:</B>
</P>
<P>Use one or more per-atom vectors as inputs every few timesteps, sum
their values for multiple chunks of atoms, and average the values for
each chunk over longer timescales. The resulting chunk averages can
be used by other <A HREF = "Section_howto.html#howto_15">output commands</A> such as
<A HREF = "thermo_style.html">thermo_style custom</A>, and can also be written to a
file.
the values over the atoms in each chunk at each timestep, then average
the per-chunk values over longer timescales. The resulting chunk
averages can be used by other <A HREF = "Section_howto.html#howto_15">output
commands</A> such as <A HREF = "thermo_style.html">thermo_style
custom</A>, and can also be written to a file.
</P>
<P>In LAMMPS, chunks are collections of atoms defined by a <A HREF = "compute_chunk_atom.html">compute
chunk/atom</A> command, which assigns each atom
@ -195,15 +195,14 @@ property/atom</A> command and then specifying
an input value from that compute.
</P>
<P>The <I>density/number</I> value means the number density is computed for
each chunk, i.e. a weighting of 1 for each atom. The <I>density/mass</I>
value means the mass density is computed for each , i.e. each atom is
weighted by its mass. The resulting density is normalized by the
volume of the chunk so that units of number/volume or density are
output. See the <A HREF = "units.html">units</A> command doc page for the
definition of density for each choice of units, e.g. gram/cm^3. If
the chunks defined by the <A HREF = "compute_chunk_atom.html">compute chunk/atom</A>
command are spatial bins, the volume is the bin volume. Otherwise it
is the volume of the entire simulation box.
each chunk, i.e. number/volume. The <I>density/mass</I> value means the
mass density is computed for each chunk, i.e. total-mass/volume. The
output values are in units of 1/volume or density (mass/volume). See
the <A HREF = "units.html">units</A> command doc page for the definition of density
for each choice of units, e.g. gram/cm^3. If the chunks defined by
the <A HREF = "compute_chunk_atom.html">compute chunk/atom</A> command are spatial
bins, the volume is the bin volume. Otherwise it is the volume of the
entire simulation box.
</P>
<P>The <I>temp</I> value means the temperature is computed for each chunk, by
the formula KE = DOF/2 k T, where KE = total kinetic energy of the