[ase-users] atoms sorting
Ondřej Krejčí
Okrejcio at seznam.cz
Tue Nov 26 10:10:46 CET 2019
Dear ase users and developers,
I'm really happy that ASE can work with so many DFT codes and their inputs
and outputs.
The only thing, that I'm missing is some simple build-in function for
sorting atoms (I know they are possibilities outside of atoms, however that
is not convenient and especially for new users hard to work with as well as
it is not written in the ASE help). Sorting by x,y,z and elements ascending
and descending (not because of DFT codes, but some other codes, that are
working on top of DFT) would make life easier for some of the ASE users.
Maybe in some future release?
Thank you!
Kind regards,
Ondrej Krejci
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