I am trying to simulate a polymer bead-spring chain melt using LAMMPS, with atom_style bond. For some of my calculations, I need to operate on a vector that stores the force acting on each atom of a particular molecule. I need such a vector for each molecule in the system. I also need separate vectors for all the atom coordinates belonging to each molecule. Is there a way to get this from LAMMPS, and are there any existing functions that operate on such vectors of atom properties of each molecule, that I can look at?
Thanks very much,