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
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.