[ase-users] Translate only atoms of a certain type
fabian
Fabian.T89 at web.de
Wed Nov 15 15:59:54 CET 2017
Dear all
I want to translate a molecule on my surface slab. At the moment i am
doing this "by Hand" in the CONTCAR file after a calculation is done.
Is there a way to translated all the atoms of a certain type or over a
certain height threshold by for example half a lattice vector within ASE?
I would be glad for any pointers in the right direction
All the best
fabian
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