From 7681ede98dac967be4bbd8746b24a5bcd9cabed8 Mon Sep 17 00:00:00 2001
From: sjplimp
lamda (KCal/(mol fmsec Ang K)) = V/(k_B*(T^2)) x "thermo" output frequency x timestep +kappa (KCal/(mol fmsec Ang K)) = V/(k_B*(T^2)) x "thermo" output frequency x timestep x Integral valuewhere
diff --git a/doc/compute_heat_flux.txt b/doc/compute_heat_flux.txt index b3a4df786d..edacb42cef 100644 --- a/doc/compute_heat_flux.txt +++ b/doc/compute_heat_flux.txt @@ -94,7 +94,7 @@ be multiplied by V/(kB T^2) times the sample interval and the appropriate unit conversion factors. For real "units"_units.html in LAMMPS, -lamda (KCal/(mol fmsec Ang K)) = V/(k_B*(T^2)) x "thermo" output frequency x timestep :pre +kappa (KCal/(mol fmsec Ang K)) = V/(k_B*(T^2)) x "thermo" output frequency x timestep x Integral value :pre where