I have been using the `find_computes_neighlist`

function, and based on your comments, I was able to retrieve the neighbor list after executing the run command. However, it appears that I was unable to obtain the neighbor list within the `compute coord/atom`

commands. It is more likely that the neighbor list is associated with the pair style. Actually, I am wondering if the `find_computes_neighlist`

and `get_neighlist`

functions can be used to obtain the index of the neighbor list in the `compute coord/atom`

command, as I require these values to update the force in my simulations.

Thank you for your time and assistance.

This is a pretty strong statement. From looking at the source code of how the neighbor list access is implemented, that is impossible. Putting that aside, why does it make a difference whether you get the neighbor list for the pair style or the compute?

…and I am wondering, how you come to this speculation.

But since it is *you* that is claiming that the code is not working according to its documentation, the burden of proof is with *you*.

That is an unusual claim as well. You need to explain how this is supposed to work as well.

It seems to be a misunderstanding on my part. I might have thought that `find_compute_neighlist`

is used to find the index of a neighbor list of a compute. Upon carefully reviewing the documentation, I realized that it is actually used to find the index of a neighbor list **requested** by a compute. Is there any possible means to obtain the computed atomic coordinates from `compute coord/atom`

?

The information you are looking for are the indices of the N closest atoms. That is not computed by `compute coord/atom`

only the number N. You would have to implement this as a different compute style in LAMMPS in C++ or *use* the neighbor list you have requested to compute this in python. That is straightforward to do in serial but tricky business in parallel.

Okay, I understand. So, is it relatively easy to retrieve the indices of the N closest atoms using the existing “compute coord/atom” function?