[ase-users] db update data field

[Jens Jørgen Mortensen]

On 11/13/2017 09:00 PM, Martin Hangaard Hansen via ase-users wrote:
>
> Hello
>
>
> Is there a nice way of updating the data field in an ase-db?
>

No.  It's on my wish list too:

     https://gitlab.com/ase/ase/issues/183

Jens Jørgen

> If I use the update function (ASE 3.14.1), and do:
>
> data = d.data.BEEFens
>
> c.update(int(d.id), data={'BEEFvdW_contribs': data})
>
> , I get a ValueError "bad key".
>
>
> The workaround is copying the data to a new file, but I would like to 
> keep the original ctime stamp and not have to create another 
> custom key value pair for that, if possible.
>
>
> Martin Hangaard Hansen
>
> Postdoc
>
> SUNCAT Center for Interface Science & Catalysis
>
> www.suncat.stanford.edu
>
> Mobile: +1 (650) 933 7215
>
>
>
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