I am trying to equilibrate a core of Ag atoms first in the first run (using
metal units) and then introducing a few Cu atoms at specified coordinates and
asking LAMMPS to do a second run.
But I am getting an error message after the first set of run is successfully
over and the second run is about to begin:
ERROR: Illegal create_atoms command
I have given part of my input file below. Could you please check what mistake
I might be doing while creating atoms of type 2 or setting their velocities. I
have omitted part of my input for 1st run part, but given the full part of the
second run. NOTE: I am running LAMMPS with this input file in one go.
boundary p p p
processors 1 1 1
...... (ommitted lines)
dump 1 all custom 1000 ./run_13/dump_multi_13_*_.out tag type x y z
create_atoms 2 single 13.00 7.00 7.00
set atom 442 vx -.003000 vy 0.000000 vz 0.000000
create_atoms 2 single 12.20 10.00 7.00
set atom 443 vx -.002598 vy -.001500 vz 0.000000
create_atoms 2 single 10.00 12.20 7.00
set atom 444 vx -.001500 vy -.002598 vz 0.000000
group copper type 2
fix 4 all rdf 100 ./run12_13/rdf_13.out 100 1 2
Your help would be very much appreciated.
Thanks very much.