I have seen the code for LAMMPS of the angle_table.cpp and I want to use this command for my simulation. However, when I create the table file for the angle potential, I am wondering to know the units used in the file angle_table.cpp. As the LAMMPS usually used, the energy and angle used in the simulation is Kcal/mole (for rad) and rad in the angle_harmonic.cpp file for real unit, respectively.
However, from the Comp Phys Comm paper for the angle_table command, the authors used the LAMMPS unit for energy and LAMMPS unit/degree for force. That means that I should implement the energy and force as Kcal/mole ( for degree) and Kcal/mole/degree in the file.table?
Thanks. I am looking forward your reply.