[ase-users] ase gui -build-nanoparticle generate crazy structures.

[Ask Hjorth Larsen]

Am So., 23. Jan. 2022 um 15:29 Uhr schrieb Ask Hjorth Larsen
<asklarsen at gmail.com>:
>
> Hi,
>
>
> Am So., 23. Jan. 2022 um 14:36 Uhr schrieb Gaël Donval via ase-users <ase-users at listserv.fysik.dtu.dk>:
> >
> > Hi Geng,
> >
> > How do you know that structure is wrong, exactly?
> > In other words, which distance is wrong and what should be its value?
>
> About 2.4 (gold) vs desired 2.85, and the truncation of the cluster is very wrong.
>
> Indeed the nanoparticle dialog appears to be very broken. Does anybody have time to debug and fix this and add a test so we'll know if it misbehaves?

Leon Avakyan kindly contributed a fix to this problem
(https://gitlab.com/ase/ase/-/merge_requests/2630).

Best regards
Ask