Dear Developers,
In the formulation of heat current, per atom stress was used however this tensor contains a kinetic term (i.e. m*v_{a}*v_{b}). If I am not wrong the term [x_{ij}f_{ij}]v_{j} in the classical formulation do not have such a kinetic expression and the code part below in compute_stress_atom.cpp should be subtracted when per atom stress is used in the heat flux calculation.
Thank you.
Alper Kinaci