Dear tcod subscribers,
At the Cecam workshop Towards a Common Format for Computational Materials Science Data
http://www.cecam.org/workshop-1290.html
I presented the result of our effort in the NOMAD project to have a a metadata structure to describe ab-initio and atomistic simulations.
A good starting point to look at it is https://gitlab.rzg.mpg.de/nomad-lab/nomad-meta-info/wikis/home and we also have a git repository to which we welcome comments/contribution.
I had very constructive discussion with Saulius on tcod, CIF and how we could integrate with and support also that.
He also proposed to present also here, to make you aware of our work use the mailing list as discussion place, given the presence of knowledgeable people on the metadata aspect.
Hopefully we agree that the more we can share the effort, the more everybody profits.
With best wishes Fawzi