From 994f73d36f28a0bdae3e800fab2634b8e679dbd4 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 17 Aug 2010 22:14:42 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4500 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- doc/compute_heat_flux.html | 6 ++++++ doc/compute_heat_flux.txt | 6 ++++++ 2 files changed, 12 insertions(+) diff --git a/doc/compute_heat_flux.html b/doc/compute_heat_flux.html index d80e653936..b0aed77f5e 100644 --- a/doc/compute_heat_flux.html +++ b/doc/compute_heat_flux.html @@ -80,6 +80,12 @@ first term in the equation for J above.


+

IMPORTANT NOTE: This section needs to be re-written to reflect the new +fix ave/correlate command, and +time-integration function trap() available in +variables. 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 thermo_style custom command). Then as a post-processing operation, an autocorrelation can be performed, its diff --git a/doc/compute_heat_flux.txt b/doc/compute_heat_flux.txt index c487fac7a6..699b2c3481 100644 --- a/doc/compute_heat_flux.txt +++ b/doc/compute_heat_flux.txt @@ -77,6 +77,12 @@ first term in the equation for J above. :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 "thermo_style custom"_thermo_style.html command). Then as a post-processing operation, an autocorrelation can be performed, its