Computing NIO parameter.

Dear all,
I am a PhD grad in iit jodhpur, india.
I am doing a project on a multi-component 2d Lenard-Jones fluid in the limiting casse where All Particles are Different(APD), with polydispersity in pair interaction strength (epsilon).
I am trying to compute NIO(neighbourhood identity ordering) which is defined as
Sum of eps over all neighbouring atoms devided by the total neighbouring atoms.
It’s a per atom quantity.
This is like how compute rdf works but Instead of radius I need eps of the pairs.
I want to know where to start.
Dr Axel can you please guide me.