[ase-users] atoms.set_angles question
Andrew Rosen
rosen at u.northwestern.edu
Thu Jan 18 03:39:59 CET 2018
*Of course, I mean atoms.set_angle (singular).
On Wed, Jan 17, 2018 at 8:39 PM Andrew Rosen <rosen at u.northwestern.edu>
wrote:
> Hi ASE users,
>
> Given three indices in an atoms object, is there a way to change the angle
> between the three atoms by moving only one of the atoms? I'm thinking
> something like the `fix` keyword in atoms.set_distances but for
> atoms.set_angles. Maybe there's a better way to go about this (I'm not the
> most geometrically inclined).
>
> Thanks for any suggestions,
> Andrew
>
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