SOF-7136: property manifest for Hubbard V nearest neighbors #284
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pranabdas
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…stricter validation
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| "$schema": "http://json-schema.org/draft-04/schema#", | ||
| "title": "Hubbard V parameters for nearest neighbors", | ||
| "description": "Hubbard V value in eV for nearest neighbors used in hp.x output parsing", | ||
| "properties": { |
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Maybe let's just reuse allOf:
"allOf": [
{
"$ref": "hubbard_v.json"
}And keep description
| @@ -24,6 +24,7 @@ | |||
| "id2", | |||
| "atomicSpecies", | |||
| "atomicSpecies2", | |||
| "distance", | |||
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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:
- get the default highest occupied orbital for each element per https://github.com/Exabyte-io/periodic-table.js/blob/dev/periodic-table.json and insert during parsing
- try to read this information from XML file when dealing with QE
keep the datastructures same, remove properties in difference set from being required
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timurbazhirov
approved these changes
Dec 24, 2023
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