[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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