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nomad-lab
nomad-meta-info
Commits
dd40030a
Commit
dd40030a
authored
Aug 24, 2018
by
Markus Scheidgen
Browse files
Added missing chemical_composition_* quantities to section_system.
parent
67d2990d
Changes
1
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meta_info/nomad_meta_info/public.nomadmetainfo.json
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dd40030a
...
...
@@ -4751,5 +4751,30 @@
"superNames"
:
[
"section_single_configuration_calculation"
]
}]
},
{
"description"
:
"The chemical composition as full formula of the system, based on atom species."
,
"dtypeStr"
:
"C"
,
"name"
:
"chemical_composition"
,
"shape"
:
[],
"superNames"
:
[
"section_system"
]
},
{
"description"
:
"The chemical composition as reduced formula of the system, based on atom species."
,
"dtypeStr"
:
"C"
,
"name"
:
"chemical_composition_reduced"
,
"shape"
:
[],
"superNames"
:
[
"section_system"
]
},
{
"description"
:
"The chemical composition as reduced bulk formula of the system, based on atom species."
,
"dtypeStr"
:
"C"
,
"name"
:
"chemical_composition_bulk_reduced"
,
"shape"
:
[],
"superNames"
:
[
"section_system"
]
}
]
}
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