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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4500 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2010-08-17 22:14:42 +00:00
parent 17c207f64b
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6
doc/compute_heat_flux.html
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@ -80,6 +80,12 @@ first term in the equation for J above.
</P> </P>
<HR> <HR>
<P>IMPORTANT NOTE: This section needs to be re-written to reflect the new
<A HREF = "fix_ave_correlate.html">fix ave/correlate</A> command, and
time-integration function trap() available in
<A HREF = "variable.html">variables</A>. This simplifies the procedure for
extracting a thermal conductivity via the Green-Kubo formula.
</P>
<P>The heat flux can be output every so many timesteps (e.g. via the <P>The heat flux can be output every so many timesteps (e.g. via the
<A HREF = "thermo_style.html">thermo_style custom</A> command). Then as a <A HREF = "thermo_style.html">thermo_style custom</A> command). Then as a
post-processing operation, an autocorrelation can be performed, its post-processing operation, an autocorrelation can be performed, its

6
doc/compute_heat_flux.txt
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@ -77,6 +77,12 @@ first term in the equation for J above.
:line :line
IMPORTANT NOTE: This section needs to be re-written to reflect the new
"fix ave/correlate"_fix_ave_correlate.html command, and
time-integration function trap() available in
"variables"_variable.html. This simplifies the procedure for
extracting a thermal conductivity via the Green-Kubo formula.
The heat flux can be output every so many timesteps (e.g. via the The heat flux can be output every so many timesteps (e.g. via the
"thermo_style custom"_thermo_style.html command). Then as a "thermo_style custom"_thermo_style.html command). Then as a
post-processing operation, an autocorrelation can be performed, its post-processing operation, an autocorrelation can be performed, its