Accessing neighbor list in LIGGGHTS through C++ interfacing

Submitted by ishaandesai on Fri, 01/13/2017 - 12:44

Hello,

I am using C++ interfacing with LIGGGHTS by following an example case given on github.com by the name of QUEST - (lmpqst) mentioned below:

https://github.com/CFDEMproject/LAMMPS/tree/master/examples/COUPLE/lammp...

I need to extract the neighbor list from source code variables for further operations.
I am not able to identify the exact set of variables in the files: neighbor.h , neigh_list.h which will lead me to the neighbor list.
Any assistance would be valuable.

Thank you.

Forums:

arnom's picture

arnom | Mon, 01/16/2017 - 08:57

Hi,

if I understand you correctly, you want the variables that are used to compute a neighbor list loop. I suggest you to have a look at pair_gran_base.h and in particular the compute_force function as this function has a neighbor loop and will show you all required variables.

Best regards,
Arno

DCS team member & LIGGGHTS(R) core developer

ishaandesai | Mon, 01/16/2017 - 11:00

Hi Arno,

I took a look at pair_gran_base.h and found the neighbor list calculating loop. However, if I understand correctly, I will have to implement this loop in my C++ code separately to get the neighbor list right ? Or can I get the list directly by extracting one variable which will have the list as an array ? I tried the second option and many variables return NULL or zero values at the end of an iteration. I suspect that memory clearing leads to removal of locally stored variable values.