[vtkusers] molecular orbital calculation

[Randall Jones]

Hello,
  In the past, I've seen a few messages come through here about
molecular visualization topics...
I have been doing some molecular visualization experiments with vtk,
mostly involving structures and orbital surfaces with various properties
color-mapped.
I have been using pre-computed orbital volumes, density, esp

I'd like to calculate these volumes given the molecular orbital
coeficients.
I'm not a computational chemist by any means... :0)
So, I'm looking for code or examples for calculating orbitals and
related information.

Thank you,

Randy
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