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SOF-7136: property manifest for Hubbard V nearest neighbors #284
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f84fe50
SOF-7136: property manifest for Hubbard V nearest neighbors
pranabdas c913e3a
SOF-7136: include hubbard_v_nn property name
pranabdas 0baa0e8
SOF-7136: separate schemas for Hubbard V and V nearest neighbors for …
pranabdas 5503b9b
SOF-7136: reuse hubbard_v as hubbard_v_nn
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SOF-7136: separate schemas for Hubbard V and V nearest neighbors for …
…stricter validation
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commit 0baa0e8040de1982b937ac52b8c3b747b3e68160
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,24 @@ | ||
{ | ||
"name": "hubbard_v_nn", | ||
"units": "eV", | ||
"values": [ | ||
{ | ||
"id": 1, | ||
"atomicSpecies": "Co", | ||
"orbitalName": "3d", | ||
"id2": 1, | ||
"atomicSpecies2": "Co", | ||
"orbitalName2": "3d", | ||
"value": 7.7514 | ||
}, | ||
{ | ||
"id": 1, | ||
"atomicSpecies": "Co", | ||
"orbitalName": "3d", | ||
"id2": 19, | ||
"atomicSpecies2": "O", | ||
"orbitalName2": "2p", | ||
"value": 0.7573 | ||
} | ||
] | ||
} |
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Original file line number | Diff line number | Diff line change |
---|---|---|
@@ -0,0 +1,35 @@ | ||
{ | ||
"$id": "properties-directory/non-scalar/hubbard-v-nn", | ||
"$schema": "http://json-schema.org/draft-04/schema#", | ||
"title": "Hubbard V parameters for nearest neighbors", | ||
"description": "Hubbard V value in eV for nearest neighbors used in hp.x output parsing", | ||
"properties": { | ||
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. Maybe let's just reuse allOf: "allOf": [
{
"$ref": "hubbard_v.json"
} And keep description |
||
"name": { | ||
"enum": ["hubbard_v_nn"] | ||
}, | ||
"units": { | ||
"enum": ["eV"] | ||
}, | ||
"values": { | ||
"type": "array", | ||
"items": { | ||
"type": "object", | ||
"allOf": [ | ||
{ | ||
"$ref": "../../core/reusable/atomic_data_per_orbital_pair_numeric.json" | ||
} | ||
], | ||
"required": [ | ||
"id", | ||
"id2", | ||
"atomicSpecies", | ||
"atomicSpecies2", | ||
"orbitalName", | ||
"orbitalName2", | ||
"value" | ||
] | ||
} | ||
} | ||
}, | ||
"required": ["name"] | ||
} |
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Let's have v and v_nn to be identical from the data structure standpoint, the latter is just for convenience purposes.
We could do one of the following: