[lammps-users] Dump fix orient/fcc per atom attributes

Dear lammps users,

I have a question concerning how to dump fix orient/fcc per atom attributes.

According to the manual, "This fix also calculates a per-atom array
which can be accessed by various output commands. The array stores the
order parameter Xi and normalized order parameter (0 to 1) for each
atom. The per-atom values can be accessed on any timestep."
It is a 2D array and I reference it with f_ID[N].

However while I use the following lines:

fix gb all orient/fcc 1 1 4.05 0.010 0.25 0.75 xi.vec chi.vec
dump 1 all cfg 2 a*.cfg.gz id type xs ys zs f_gb[1]

an error occurred: ERROR: Dump custom fix does not compute per-atom info

Could you please let me know how to dump out the f_gb (the
artificially added force or energy) per atom?

Thanks a lot for your kind helps.


Are you using the most current version of LAMMPS? This
style of output for fix orient/fcc was only very recently added
to the code.


Thank you so much for your kind reply.

With the latest LAMMPS, it works out as the manual said... :stuck_out_tongue: