[ase-users] AutoNEB minimal working example
Jens Jørgen Mortensen
jjmo at dtu.dk
Mon Nov 25 08:26:21 CET 2019
On 11/20/19 4:48 PM, Louie Slocombe via ase-users wrote:
> Dear ASE users,
>
> I am new to ASE's AutoNEB functionality and would like to learn how to
> use it. Would anyone be kind enough to share a minimal working example?
Only thing I could find is this:
https://gitlab.com/ase/ase/blob/master/ase/test/autoneb.py
Also check out this project:
https://github.com/zadorlab/sella
Jens Jørgen
>
> Many thanks in advance,
>
> Louie
>
> ---
>
> Louie Slocombe
>
> PhD Candidate in Theoretical Physics
>
> Leverhulme Quantum Biology Doctoral Training Centre
>
> University of Surrey
>
> GU2 7XH Guildford
>
> United Kingdom
>
> Office: 03AZ04
>
> Email: l.slocombe at surrey.ac.uk <mailto:l.slocombe at surrey.ac.uk>
>
>
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