Hello,
I have been following the LAMMPS development and recently a pull request was made to add the ability for the python API to extract the neighbor list (https://github.com/lammps/lammps/commit/b1668f28dda3c94929aec774f31cd537...).
This has been intriguing to me and I have begun to port over the changes to LIGGGHTS. This has proved to be difficult due to the vast differences between the two codes. I believe that I have made the correct changes to library.h and library.cpp but I am unsure about where to put the extra code in neighbor.cpp and neighbor.h. LAMMPS has a routine named Neighbor::init_pair() where this additional code is written.
My main question would be, does LIGGGHTS have something similar to Neighbor::init_pair()? (Is this just our Neighbor::init()?)
Is there already a way to extract the neighbor list in the python API?
Thank you for any and all help.