[ase-users] Rotate a group of atoms

[Duy Le]

Thanks. This is very  helpful.

Duy

On Tue, Oct 25, 2016 at 8:13 AM, Ask Hjorth Larsen <asklarsen at gmail.com>
wrote:

> 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
> >
> > _______________________________________________
> > ase-users mailing list
> > ase-users at listserv.fysik.dtu.dk
> > https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>
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