Open andeplane opened 7 years ago
We don't have access to the actual cells though, so we cannot render the voronoi cells without doing more calls to voro++ (which we probably should do from atomify).
Or probably add another voronoi step only in atomify so we can look at voronoi cells of subsets (after removing atoms etc)?
Since voronoi is heavy, the user should ask for it at a paused timestep.
We can ship atomify with voro++ so that atoms get colored, but we should wait with more advanced stuff.
I tried it and it worked. We need to compile voro++. LAMMPS needs to have symlinks in /path/to/lammps/lib/voronoi pointing to the voro++/src/ folder (or just compile with the python script provided in there). Atomify needs to include the voro++/src/ folder and link with -lvoro++.
The output from LAMMPS is then 2 or 3 outputs (as explained here which can be used to color atoms.