RE: Evaluation of MO's from ab-initio calculations



 Cameron,
 If you subsequently want to view surfaces derived from the grids you
 generate, you might try ArgusLab (www.arguslab.com)  It handles both
 gaussian output files and cube files.
 See http://www.arguslab.com/gallery.htm for some examples.
 Cheers,
 Mark
 =================================
 Mark Thompson, Ph.D.
 Planaria Software
 Seattle, WA.
 http://www.arguslab.com
 =================================
 >
 > I'm looking for some code that I can use to compute orbital and density
 > values on a grid from ab-initio (Gaussian/Gamess) calculations.
 > I'm aware
 > of the MOLDEN code but this is not suitable for my purpose.  What
 > I'm really
 > after is a Gaussian CUBEGEN like program that I can use like a library.
 >
 > Alternatively if someone can point me to some literature I can
 > probably cook
 > something up.
 >
 > Thanks.
 >
 > Cameron
 >