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Update optimade.rst
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Co-authored-by: Antanas Vaitkus <antanas.vaitkus90@gmail.com>
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merkys and vaitkus authored Jun 12, 2024
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Expand Up @@ -3536,7 +3536,7 @@ The :entry:`calculations` entries have the properties described above in section
Related :entry:`files` entries specified as relationships (as described in section `Relationships`_) list files used or produced by a calculation.
They MAY be defined as either input or output files by the :field:`role` field inside the :field:`meta` dictionary of the JSON:API resource identifier object.
The allowed values are :val:`input` for input files and :val:`output` for output files.
Absence of :field:`role` or :val:`null` means that the role is undefined and SHOULD NOT be assumed.
If the :field:`role` field is not provided or the value is set to :val:`null`, a default role SHOULD NOT be assumed.
It is RECOMMENDED to order the output files in the list of calculation's relationships in a way to prioritize the files most likely to contain details which could be used to automatically analyze the performed calculation.
This way output parsing software would need to read in a small number of calculation output files to possibly identify the code, type and possibly parameters of calculation performed.

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