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Materials-Consortia
Specification of a common REST API for access to materials databases
We currently have a v1.0 branch that backported a few fixes from 1.1 back to 1.0 (which culminated in the 1.0.1 release). This is a reminder to myself to essentially...
At the 2024 workshop we agreed that the following three properties should be supported density (3D) electron density of states at Fermi level work function and that these should be...
Part of the discussion around properties lead to the idea that even database-specific definitions could be promoted as a "namespace" provider, so that e.g., NOMAD could use the definition from...
This PR attempts to generalize #436 by allowing to define provider-specific data types. The following conditions for such data types apply: * Their values have to be expressed as string...
This PR addresses #437 by allowing fully-fledged filtering on relationships. Prior to it, filtering was allowed, but only on `id` and `meta.description` of relationships. Now all properties of related entries...
During workshop discussions, @giovannipizzi suggested introducing a means to specify how files are related to calculations entries. This PR introduces `meta.role` field to specify whether an attached file is input...
Here are the discussion topics suggested for this year's workshop. We will cycle through them throughout the week: - Trajectories - Collections + providing data for training ML potentials -...
In PR #481, we are adding the definition to slice array properties with a syntax similar to: ``` property_slices=dim_sites:3:5:1 ``` to get only values where the index of the axes...
In #481, we are also adding a clarification that custom dimension names MUST start with the database or definition provider prefix. In the property definitions, a number of dimension names...
OPTIMADE property definitions defines `compatibility` field to specify IRIs for compatible (interconvertable) units. During the workshop it has been suggested that there should be a means to also specify IRIs...
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Specification of a common REST API for access to materials databases