[ghemical-devel] mopac status?

[Geoff Hutchison]

> Lately my time has gone mostly in force field parameter work and in the
> bonobo business. I have not yet separated the "libmopac7" but now 
> there is
> a sourceforge project for that :
>
> 	http://sourceforge.net/projects/mopac7/
>
> and the mopac source is at CVS there.

Today I was investigating some C++ libraries for numerical computing 
(e.g. replacements for LAPACK) for a colleague and came across this:

QC++ (a C++ implementation of MNDO, AM1, and PM3)
http://www.labri.fr/Perso/~okon/

It says "QC++ is freely available under Linux, IBM AIX and SGI Irix 
with authorization from the authors." I wonder if they might be willing 
to move to a GPL-compatible license. If so, it would solve many of our 
"libmopac" problems, since it would already be developed.

-Geoff
(Who is currently finishing his dissertation this fall and doesn't have 
the time he'd like to devote to Ghemical or Open Babel. :-(