Re: libacml.a
On Fri, 30 Jun 2006, Francesco Pietra wrote:
Giacomo, please be consistent. How do you know that, if you can not compare?
At the best, you are limited to checking agreement between quantum mechanical
calculations and experimental results.
Let's be honest about it: you _can_ compare results. They complain if you
compare _performance_ issues, i.e. they will be upset if you say "Gaussian
is 4 times slower on this calculation than package XXX", but you are fully
entitled to compare the accuracy of results. Then, if you publish a paper in
which _some_ results were obtained using Gaussian and _some other_ results
using some other package, it's apparent that, unless you are stupid, you
tried to use the most effective tool for the job, and in some cases it was
not Gaussian... I _am_ a scientist and would neither accept nor publish
results which are not fully reproducible.
Bye
Giacomo
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Giacomo Mulas <gmulas@ca.astro.it>
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