[ase-users] db update data field

[Martin Hangaard Hansen]

Hello


Is there a nice way of updating the data field in an ase-db? 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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