On Mon, Jan 23, 2017 at 12:31:49PM +0100, Petter Reinholdtsen wrote: > [Michael Banck] > > Avogadro has a much better GUI and support for geometry optimizations > > via force fields as well; and can read/write output/input of severl > > quantum chemistry packages in Debian; you'd have to run the computation > > yourself, though.
the last sentence sounds a bit scary / less user-friendly.
anyhow, maybe for now we'd just add avogadro as an alternative
recommends?
--
cheers,
Holger
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