I’m using the command “property-local” to output ID’s and types of atoms for all pairs of atoms within the potential’s cutoff, but the resulting data seems to be contradictory. Here is the command I use in this purpose :
compute IDs all property/local patom1 patom2 ptype1 ptype2
dump IDs all local 1 dump.ids index c_IDs c_IDs c_IDs c_IDs
And here are two lines I obtain in the output file :
31767 70481 82264 2 2
31768 98083 82264 1 1
The first column is the index, second and third columns are atom ID’s, and fourth and fifth are atom types. It seems contradictory to me that atom 82264 has atom type 2 in the first line and then type 1 in the second line. Is the atom type supposed to be constant in the file ? I know that “ptype” keyword is new in LAMMPS, so is it possible to verify this ?
Thank you very much !