Re: [cclib-devel] MP2 calculations

[Noel O'B. <bao...@gm...>]

It's absolutely worthwhile. If there's one thing I've learnt through
working on GaussSum, is that you need example files. Otherwise, you
just *think* it works for MP2; now, we're certain, and we'll still be
certain in a year's time. And we need to have the same certainty for
each of the other programs. Also, in a future version of Gaussian, the
MP5 output could be different, but we still want it to work for users
of the current version.

In other words, tests keep us sane in a world of multiple versions of
multiple packages. :-)

> Is it worthwhile to have all four runs? After all, the MP5 logfile has output
> from the MP2, MP3, and MP4 as well.
>
> Karol
>
> --
> written by Karol Langner
> Wed Jan 24 22:10:20 CET 2007
>
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