OPTIMADE-PropertyDefinitions

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externals/OPTIMADE/CHANGELOG.md  view on Meta::CPAN

We have clarified our approach to versioning explicitly in the specification under [Versioning of this standard](https://github.com/Materials-Consortia/OPTIMADE/blob/v1.2.0/optimade.rst#versioning-of-this-standard).

For a more academic summary of the changes, please see our paper: [10.1039/D4DD00039K](https://doi.org/10.1039/D4DD00039K).

In addition to the specification document itself, machine-readable schemas from this repository can now be found hosted at [schemas.optimade.org](https:///schemas.optimade.org), and HTML builds of the specification can be found at [specification.opti...

### New features

- **Property definitions** ([#376](https://github.com/Materials-Consortia/OPTIMADE/pull/376)): A new section titled [Property Definitions](https://github.com/Materials-Consortia/OPTIMADE/blob/v1.2.0/optimade.rst#property-definitions) has been added t...
- **Namespace prefixes for definitions** ([#473](https://github.com/Materials-Consortia/OPTIMADE/pull/473)): The mechanism for providers to define custom properties under their own namespace/prefix has been extended to allow implementations to share ...
- **Partial data** ([#467](https://github.com/Materials-Consortia/OPTIMADE/pull/467)): Adds a mechanism and format for streaming, paginating or slicing individual properties within entries.
- **Per entry/property metadata** ([#463](https://github.com/Materials-Consortia/OPTIMADE/pull/463)): Added a mechanism for providing metadata specific to a given entry or property.
- **Files endpoint** ([#360](https://github.com/Materials-Consortia/OPTIMADE/pull/360)): The [`files` entry type](https://github.com/Materials-Consortia/OPTIMADE/blob/v1.2.0/optimade.rst#files-entries) has been added to provide a robust way of linkin...
- **Symmetry operation specification and space group fields** ([#480](https://github.com/Materials-Consortia/OPTIMADE/pull/480), [#405](https://github.com/Materials-Consortia/OPTIMADE/pull/405), [#464](https://github.com/Materials-Consortia/OPTIMADE/...
- **Database licenses** ([#414](https://github.com/Materials-Consortia/OPTIMADE/pull/414),[#497](https://github.com/Materials-Consortia/OPTIMADE/pull/497)): Several fields have been added to programmatically describe the licensing status of data serv...
- **Database metadata field** ([#424](https://github.com/Materials-Consortia/OPTIMADE/pull/424)): Added an additional metadata field `database` for providing a human-readable description of a given database.
- **Backoff time** ([#411](https://github.com/Materials-Consortia/OPTIMADE/pull/411)): Databases can now request ahead of time that clients apply a particular rate limit or back-off time via the `request_delay` metadata field.

### Patches

- **Fuzzy comparisons on lists** ([#415](https://github.com/Materials-Consortia/OPTIMADE/pull/415)):

externals/OPTIMADE/optimade.rst  view on Meta::CPAN


     #BEGIN ECMA symops

     ^([-+]?[xyz]([-+][xyz])?([-+](1/2|[12]/3|[1-3]/4|[1-5]/6))?|[-+]?(1/2|[12]/3|[1-3]/4|[1-5]/6)([-+][xyz]([-+][xyz])?)?),([-+]?[xyz]([-+][xyz])?([-+](1/2|[12]/3|[1-3]/4|[1-5]/6))?|[-+]?(1/2|[12]/3|[1-3]/4|[1-5]/6)([-+][xyz]([-+][xyz])?)?),([-+]?[x...

     #END ECMA symops

OPTIMADE JSON Lines partial data format
---------------------------------------
The OPTIMADE JSON Lines partial data format is a lightweight format for transmitting property data that are too large to fit in a single OPTIMADE response.
The format is based on `JSON Lines <https://jsonlines.org/>`__, which enables streaming of JSON data.
Note: since the below definition references both JSON fields and OPTIMADE properties, the data type names depend on context: for JSON they are, e.g., "array" and "object" and for OPTIMADE properties they are, e.g., "list" and "dictionary".

.. _slice object:

To aid the definition of the format below, we first define a "slice object" to be a JSON object describing slices of lists.
The dictionary has the following OPTIONAL fields:

- :field:`"start"`: Integer.
  The slice starts at the value with the given index (inclusive, meaning the item at the start index is included).
  It MUST be a non-negative integer.



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