I am trying to do LAMMPS calculations but I have noticed that when I dump to
.xyz that ASE cannot read the elements because they are simply not output! Is there a good way to specify elements to atoms in LAMMPS?
I am using the following dump command
dump dump_all all custom 20 output.xyz id type x y z vx vy vz fx fy f
The data file looks something like this as well
/scratch/tgmaxson/data (written by ASE) 45 atoms 3 atom types 0.0 8.4770495136049657 xlo xhi 0.0 8.5867434566153804 ylo yhi 0.0 8.8601981847873912 zlo zhi Atoms 1 0 3 0.0 0.19840304286794558 2.6071741694272772 7.2188474839438452