What do the arguments to this function indicate? I couldn’t find any comments in the code to guide me on this, i’m especially confused by the i, j, itype, jtype arguments.
double PairLJCut::single(int i, int j, int itype, int jtype, double rsq,
double factor_coul, double factor_lj,
Also if the arguments can be described in the context of the Pair::write_file() routine, that would be most helpful!
Thank you for your kind attention!