[ase-users] Rotate a group of atoms

[Ask Hjorth Larsen]

Dear Duy

Try something along the lines of:

subsystem_indices = [1,2,6,7,10,11,12]  # The group of atoms
subsystem = atoms[subsystem_indices]

subsystem.rotate(....)  # etc.

atoms.positions[subsystem_indices] = subsystem.positions

Best regards
Ask

2016-10-25 13:26 GMT+02:00 Duy Le via ase-users
<ase-users at listserv.fysik.dtu.dk>:
> Dear all,
>
> How could I rotate a group of atoms while the remaining atoms should not be
> moved, not from using ase-gui?
> Any help is appreciated.
>
> Duy
>
> UCF
>
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