diff --git a/doc/src/compute_heat_flux.txt b/doc/src/compute_heat_flux.txt index e8adac3deb5e71a5cd3ed3c15088868b3b8768f5..39a1470201fc3f6705ee222e9719261aeae5dd4f 100644 --- a/doc/src/compute_heat_flux.txt +++ b/doc/src/compute_heat_flux.txt @@ -26,14 +26,16 @@ compute myFlux all heat/flux myKE myPE myStress :pre Define a computation that calculates the heat flux vector based on contributions from atoms in the specified group. This can be used by -itself to measure the heat flux into or out of a reservoir of atoms, -or to calculate a thermal conductivity using the Green-Kubo formalism. - -See the "fix thermal/conductivity"_fix_thermal_conductivity.html -command for details on how to compute thermal conductivity in an -alternate way, via the Muller-Plathe method. See the "fix -heat"_fix_heat.html command for a way to control the heat added or -subtracted to a group of atoms. +itself to measure the heat flux through a set of atoms (e.g. a region +between two thermostatted reservoirs held at different temperatures), +or to calculate a thermal conductivity using the equilibrium +Green-Kubo formalism. + +For other non-equilibrium ways to compute a thermal conductivity, see +"this section"_Section_howto.html#howto_20. These include use of the +"fix thermal/conductivity"_fix_thermal_conductivity.html command for +the Muller-Plathe method. Or the "fix heat"_fix_heat.html command +which can add or subtract heat from groups of atoms. The compute takes three arguments which are IDs of other "computes"_compute.html. One calculates per-atom kinetic energy