[cml/ccml-discuss] 3D Grids / Orbitals

[Geoffrey H. <ge...@ge...>]

Hi Peter,

When you visited Pittsburgh this spring, I mentioned Avogadro and that  
we were interested in representing as much as possible in our CML files.

First off... grids / cubes. We plot molecular surfaces, but these are  
essentially just representations of a function f(x, y, z) or "cube."  
That is, for each point xyz, we have a value. We'd like to represent  
this in CML, but from our discussion in person, this wasn't yet  
possible?

Thanks,
-Geoff