the overall number of collisions between different types of particles

Submitted by kodai on Wed, 10/28/2020 - 18:57

I would like to count the overall number of collisions between different types of particles.

Suppose we have 3 types of particles

So what i need is the total number of collisions between each type, between type 1 and type 2 , between type 1 and type 3, and between type 2 and type 3, Is there a way to do this?

Do i have to make some changes in the source code of liggghts or use a predefined liggghts command .

Ps: i have 20 different type of particles.

mschramm | Wed, 10/28/2020 - 23:04

Hello,
It looks like compute contact/atom gets you almost to what you want. See https://www.cfdem.com/media/DEM/docu/compute_contact_atom.html

It only checks for one group though but you should be able to extend this function to accomplish what you are seeking. A quick fix that comes to mind is
adding the two atom types you are looking for to the same group (group_1_2). Then in the code where you loop through atom_i's neighbors, add a check
to make sure the two atom types are different. This is a little dirty but gets you to the answer that you are looking for.