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] = x[i] + xboxxprd + yboxxy + zbox * xz;
xoriginal[i] = x[i] + yboxyprd + zboxyz;
xoriginal[i] = x[i] + zbox*zprd;
instead of the original ones.