Re: [Avogadro-devel] [off-topic] Why everybody loves Gaussian?

[Louis R. <lou...@po...>]

My opinion only engages me. This is not the place for a debate regarding
Gaussian or other QC packages.

But in short, at the moment, two QC suites are prevalent in academic
publications: ADF (more expensive than G) and Gaussian, that is doing
a good job, despite some drawbacks. Just want to add that sources 
licensing of Gaussian is rather "lenient".

Louis

Le 15 déc. 2009 à 19:25, Konstantin Tokarev a écrit :

> Why everybody loves Gaussian? Why it's needed to make N'th front-end for G while there are so many academic-free QC packages (GAMESS US, PC Gamess, NWChem, ORCA, Priroda, etc ) and even open source ones (Aces III, ...) ? Why not to improve file reading code for them?
> 
> My knifes:
> 1. G's slower than other packages (but they explicitly forbid publishing of timings in their outputs)
> 2. G produces less human readable files then other packages, such as GAMESS variants, NWChem, ORCA, Priroda and especially Molpro (the latter is wonderful software, but it's commercial. Don't think I'd like to place advertisments here, it's only my humble opinion)
> 3. It's more expensive than it's commerical concurrents, probably it's the most expensive QC package.
> 4. It requires additional fee for source code (though performance greatly depend on right compilation and choice of BLAS/LAPACK)
> 5. http://www.bannedbygaussian.org/
> 
> -- 
> Regards,
> Konstantin
> 
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