Hello LAMMPS users,
I am using the LAMMPS version 12Dec2018. I am currently attempting to do a KMC simulation to calculate the diffusion coefficient of an Inconel-Ni alloy using LAMMPS. I have attached the required parts of the input file here. I am trying to count the number of atoms within the radius of a randomly-chosen atom using the ‘region sphere’ command. But it is giving me 0 as the number of neighbours, which is wrong. I checked the number of neighbours for that particular atom, and the number should be 43. This is what the log file displays at the end.
variable num_nnatoms equal “count(nnatoms)”
variable nn equal ${num_nnatoms}
variable nn equal 0
How do I rectify this?
MATSCI.in (3.3 KB)
Regards,
Rajesh