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Feat/sof 6970 #266

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merged 5 commits into from
Sep 9, 2023
Merged

Feat/sof 6970 #266

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4097b77
feat: add dielectric tensor schema + example
azech-hqs Sep 8, 2023
2bb4559
chore: add dielectric tensor property to manifest
azech-hqs Sep 8, 2023
0494f58
refactor: generalize frequency component schema
azech-hqs Sep 9, 2023
1723457
chore: fix example
azech-hqs Sep 9, 2023
9ceaa18
chore: restructure dielectric tensor property
azech-hqs Sep 9, 2023
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133 changes: 133 additions & 0 deletions example/properties_directory/non-scalar/dielectric_tensor.json
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Original file line number Diff line number Diff line change
@@ -0,0 +1,133 @@
{
"name": "dielectric_tensor",
"values": [
{
"part": "real",
"spin": 0.5,
"frequencies": [
0.000000000,
0.060120240,
0.120240481,
0.180360721
],
"components": [
[
0.000000000,
0.000000000,
0.000000000
],
[
0.019862988,
0.019862988,
0.019862987
],
[
0.039813564,
0.039813565,
0.039813563
],
[
0.059940387,
0.059940389,
0.059940385
]
]
},
{
"part": "imaginary",
"spin": 0.5,
"frequencies": [
0.000000000,
0.060120240,
0.120240481,
0.180360721
],
"components": [
[
0.000000000,
0.000000000,
0.000000000
],
[
0.019862988,
0.019862988,
0.019862987
],
[
0.039813564,
0.039813565,
0.039813563
],
[
0.059940387,
0.059940389,
0.059940385
]
]
},
{
"part": "real",
"spin": -0.5,
"frequencies": [
0.000000000,
0.060120240,
0.120240481,
0.180360721
],
"components": [
[
0.000000000,
0.000000000,
0.000000000
],
[
0.019862988,
0.019862988,
0.019862987
],
[
0.039813564,
0.039813565,
0.039813563
],
[
0.059940387,
0.059940389,
0.059940385
]
]
},
{
"part": "imaginary",
"spin": -0.5,
"frequencies": [
0.000000000,
0.060120240,
0.120240481,
0.180360721
],
"components": [
[
0.000000000,
0.000000000,
0.000000000
],
[
0.019862988,
0.019862988,
0.019862987
],
[
0.039813564,
0.039813565,
0.039813563
],
[
0.059940387,
0.059940389,
0.059940385
]
]
}
]
}
4 changes: 4 additions & 0 deletions manifest/properties.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -193,6 +193,10 @@ average_potential_profile:
schemaId: properties-directory/non-scalar/average-potential-profile
isResult: true

dielectric_tensor:
schemaId: properties-directory/non-scalar/dielectric-tensor
isResult: true

# STRUCTURAL
basis:
defaults:
Expand Down
28 changes: 28 additions & 0 deletions schema/core/reusable/dielectric_tensor_component.json
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Original file line number Diff line number Diff line change
@@ -0,0 +1,28 @@
{
"$id": "core/reusable/dielectric-tensor-component",
"$schema": "http://json-schema.org/draft-04/schema#",
"title": "Dielectric Tensor",
"allOf": [
{
"$ref": "./frequency_function_matrix.json"
}
],
"properties": {
"part": {
"description": "Real or imaginary part of the dielectric tensor component",
"type": "string",
"enum": [
"real",
"imaginary"
]
},
"spin": {
"type": "number"
}
},
"required": [
"part",
"frequencies",
"components"
]
}
23 changes: 23 additions & 0 deletions schema/core/reusable/frequency_function_matrix.json
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Original file line number Diff line number Diff line change
@@ -0,0 +1,23 @@
{
"$id": "core/reusable/frequency-function-matrix",
"$schema": "http://json-schema.org/draft-04/schema#",
"title": "",
"description": "Schema for a function of frequency yielding a nx3 matrix",
"type": "object",
"properties": {
"frequencies": {
"description": "Frequencies",
"type": "array",
"items": {
"type": "number"
}
},
"components": {
"description": "Matrix with 3 columns, e.g. x, y, z",
"type": "array",
"items": {
"$ref": "../primitive/array_of_3_numbers.json"
}
}
}
}
22 changes: 22 additions & 0 deletions schema/properties_directory/non-scalar/dielectric_tensor.json
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Original file line number Diff line number Diff line change
@@ -0,0 +1,22 @@
{
"$id": "properties-directory/non-scalar/dielectric-tensor",
"$schema": "http://json-schema.org/draft-04/schema#",
"title": "dielectric tensor property",
"description": "The real and imaginary parts of the diagonal elements of the dieletric tensor",
"properties": {
"name": {
"enum": [
"dielectric_tensor"
]
},
"values": {
"type": "array",
"items": {
"$ref": "../../core/reusable/dielectric_tensor_component.json"
}
}
},
"required": [
"name"
]
}
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