[ase-users] Sort Atoms in specific Order

fabian Fabian.T89 at web.de
Fri Apr 7 12:05:58 CEST 2017


Dear all ,

I want to sort the order of the atoms in my  Output files

in a specific order.

currently i use:

slab=sort(slab, tags=None)

Which sets them in alphabetical order. I want to determine the order myself

All the best


fabian



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