Hi,
I want to use the rerun command to calculate the RDF for larger distances than the cutoff distance of my potential (SW). I know I have to tell LAMMPS to build larger neighbor lists in order to do that, but which command will allow me to do that ? Thank you for your help,
Paule
Since the SW potential is not saved in the restart file, no neighbor
list will be created by default. To get LAMMPS to generate a neighbor
list, you have to request a pair_style. Whatever cutoff you specify
for that will be used by the RDF compute. The other choices you make
are just for computational efficiency, e.g. set the neighbor skin
distance to zero.
Aidan