View a classified frame

View ice labels on a dump. The engine writes LAMMPS text. The viewer for this release is solvis (PyVista) through pydseams, not OVITO.

pip install 'pydseams[solvis]'

import pydseams as ds

frame = ds.read("input/traj/exampleTraj.lammpstrj")
frame.chill_plus()
frame.cages()
system = frame.to_solvis()

system is a solvis.System on the same Atoms to_ase returns, including ice_type / hc / ddc arrays after those calls. Interactive plots follow the solvis examples. The full howto is pydseams solvis.