How to get custom properties from read_lammps_dump_text

ASE
1

Hi I have a lammps dump file, created by OVITO, with the following data fields:
ITEM: ATOMS id type Coordination x y z AtomicVolume VoronoiIndex3 VoronoiIndex4 VoronoiIndex5 VoronoiIndex6

I can read the file using code such as: atoms=read_lammps_dump_text(fileobj=open(‘voro.dump’,‘r’), index=-1)

while it’s easy to get positions using atoms.get_positions(), I don’t know how to get the property such as AtomicVolume of the atoms. Thanks for your help.

2

Looking at the source code: ase/io/lammpsrun.py · master · ase / ase · GitLab

It seems that columns that start with “f_”, “v_” or “c_” will be added to the atoms.arrays . If the column name doesn’t include one of those tokens I think it is probably ignored, but I don’t have a sample file to check.