LAMMPS Modeling

When employing molecular dynamics methods to compute the thermal conductivity of diamond, while utilizing a cubic lattice to construct the diamond model, is it essential to consider the direction of heat conduction?

Sorry, but this is a generic question about MD simulations and your research and not really about LAMMPS. Thus it is posted in the wrong place. MatSci has specific categories for such questions under “Science Talk”. Another avenue to explore is the published literature. It seems very likely that people have already done studies that you are referring to, so looking at the discussion sections of such similar studies in corresponding publications should have a good chance that your question is addressed.