ovilab / atomify

Atomify - a realtime LAMMPS visualizer
GNU General Public License v3.0
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Add voronoi visualization if compute voronoi/atom is used #327

Open andeplane opened 7 years ago

andeplane commented 7 years ago

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.

andeplane commented 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).

andeplane commented 7 years ago

Or probably add another voronoi step only in atomify so we can look at voronoi cells of subsets (after removing atoms etc)?

andeplane commented 7 years ago

Since voronoi is heavy, the user should ask for it at a paused timestep.

andeplane commented 7 years ago

We can ship atomify with voro++ so that atoms get colored, but we should wait with more advanced stuff.