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