Kumar, Sushant, Cheng Shao, Simon Lu, and Alan JH McGaughey. "Contributions of different degrees of freedom to thermal transport in the C 60 molecular crystal." Physical Review B 97, no. 10 (2018): 104303.
shaocheng16/lammps_rigid_GK
Modify LAMMPS to calculate the thermal conductivity of rigid-body system from Green-Kubo method
C++