From 60f51dd3104d180e4bec8248eb85bff8ec906132 Mon Sep 17 00:00:00 2001 From: Andrius Merkys Date: Wed, 12 Jun 2024 16:19:30 +0200 Subject: [PATCH] Update optimade.rst Co-authored-by: Antanas Vaitkus --- optimade.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/optimade.rst b/optimade.rst index 5b6e6a85..9ca75290 100644 --- a/optimade.rst +++ b/optimade.rst @@ -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.