[lammps-users] 回复: Re: compute heat/flux about 2-component system

Hi Weijie,
Did you see publication Journal of Chemicla Physics vol 120, p 8676?
The authors discuss if it's possible to use energy flux, istead heat
flux for two component compound.
fix thermal/conductivity can be applied for multicomponent systems too.
I do not have any experience with fix rigid command.