[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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