[lammps-users] Is there a way to dump the neighbor list for a group of atoms?

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1

Hi there,

I would like to know if there is a way to dump the neighbor list for a group of atoms.
I did not find a solution in the current documents.

Besides, Steve, I believe I am right that in fix/msd, to get the initial configuration
(and the displacement) correctly for triclinic systems, the instructions should look like:
xoriginal[i][0] = x[i][0] + xboxxprd + yboxxy + zbox * xz;
xoriginal[i][1] = x[i][1] + yboxyprd + zboxyz;
xoriginal[i][2] = x[i][2] + zbox*zprd;
instead of the original ones.

Thanks.

2

Hi.

This is modeled after dump_bond.cpp. You need to make appropriate mods to style.h too. It was a modification to the 23April 2006 version of LAMMPS.

dump_neighbors.cpp (3.9 KB)

dump_neighbors.h (1.44 KB)

3

Thanks a lot, it really helps!

LT