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fix: use properties key in dft subtypes #233

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fix: use properties key in dft subtypes #233

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54 changes: 28 additions & 26 deletions schema/models_directory/pb/qm/dft/ksdft/double_hybrid.json
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Original file line number Diff line number Diff line change
Expand Up @@ -7,31 +7,33 @@
"$ref": "../ksdft.json"
}
],
"subtype": {
"enum": [
{
"name": "Double hybrid functional",
"slug": "double-hybrid"
}
]
},
"functional": {
"oneOf": [
{
"$ref": "double_hybrid/functional.json"
},
{
"$ref": "double_hybrid/range_separated_functional.json"
}
]
},
"augmentations": {
"$ref": "double_hybrid/augmentations.json"
},
"modifiers": {
"$ref": "double_hybrid/modifiers.json"
},
"tags": {
"$ref": "double_hybrid/tags.json"
"properties": {
"subtype": {
"enum": [
{
"name": "Double hybrid functional",
"slug": "double-hybrid"
}
]
},
"functional": {
"oneOf": [
{
"$ref": "double_hybrid/functional.json"
},
{
"$ref": "double_hybrid/range_separated_functional.json"
}
]
},
"augmentations": {
"$ref": "double_hybrid/augmentations.json"
},
"modifiers": {
"$ref": "double_hybrid/modifiers.json"
},
"tags": {
"$ref": "double_hybrid/tags.json"
}
}
}
40 changes: 21 additions & 19 deletions schema/models_directory/pb/qm/dft/ksdft/gga.json
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Original file line number Diff line number Diff line change
Expand Up @@ -7,24 +7,26 @@
"$ref": "../ksdft.json"
}
],
"subtype": {
"enum": [
{
"name": "Generalized Gradient Approximation",
"slug": "gga"
}
]
},
"functional": {
"$ref": "gga/functional.json"
},
"augmentations": {
"$ref": "gga/augmentations.json"
},
"modifiers": {
"$ref": "gga/modifiers.json"
},
"tags": {
"$ref": "gga/tags.json"
"properties": {
"subtype": {
"enum": [
{
"name": "Generalized Gradient Approximation",
"slug": "gga"
}
]
},
"functional": {
"$ref": "gga/functional.json"
},
"augmentations": {
"$ref": "gga/augmentations.json"
},
"modifiers": {
"$ref": "gga/modifiers.json"
},
"tags": {
"$ref": "gga/tags.json"
}
}
}
54 changes: 28 additions & 26 deletions schema/models_directory/pb/qm/dft/ksdft/hybrid.json
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Original file line number Diff line number Diff line change
Expand Up @@ -7,31 +7,33 @@
"$ref": "../ksdft.json"
}
],
"subtype": {
"enum": [
{
"name": "Hybrid functional",
"slug": "hybrid"
}
]
},
"functional": {
"oneOf": [
{
"$ref": "hybrid/functional.json"
},
{
"$ref": "hybrid/range_separated_functional.json"
}
]
},
"augmentations": {
"$ref": "hybrid/augmentations.json"
},
"modifiers": {
"$ref": "hybrid/modifiers.json"
},
"tags": {
"$ref": "hybrid/tags.json"
"properties": {
"subtype": {
"enum": [
{
"name": "Hybrid functional",
"slug": "hybrid"
}
]
},
"functional": {
"oneOf": [
{
"$ref": "hybrid/functional.json"
},
{
"$ref": "hybrid/range_separated_functional.json"
}
]
},
"augmentations": {
"$ref": "hybrid/augmentations.json"
},
"modifiers": {
"$ref": "hybrid/modifiers.json"
},
"tags": {
"$ref": "hybrid/tags.json"
}
}
}
40 changes: 21 additions & 19 deletions schema/models_directory/pb/qm/dft/ksdft/lda.json
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Original file line number Diff line number Diff line change
Expand Up @@ -7,24 +7,26 @@
"$ref": "../ksdft.json"
}
],
"subtype": {
"enum": [
{
"name": "Local Density Approximation",
"slug": "lda"
}
]
},
"functional": {
"$ref": "lda/functional.json"
},
"augmentations": {
"$ref": "lda/augmentations.json"
},
"modifiers": {
"$ref": "lda/modifiers.json"
},
"tags": {
"$ref": "lda/tags.json"
"properties": {
"subtype": {
"enum": [
{
"name": "Local Density Approximation",
"slug": "lda"
}
]
},
"functional": {
"$ref": "lda/functional.json"
},
"augmentations": {
"$ref": "lda/augmentations.json"
},
"modifiers": {
"$ref": "lda/modifiers.json"
},
"tags": {
"$ref": "lda/tags.json"
}
}
}
40 changes: 21 additions & 19 deletions schema/models_directory/pb/qm/dft/ksdft/mgga.json
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Original file line number Diff line number Diff line change
Expand Up @@ -7,24 +7,26 @@
"$ref": "../ksdft.json"
}
],
"subtype": {
"enum": [
{
"name": "Meta Generalized Gradient Approximation",
"slug": "mgga"
}
]
},
"functional": {
"$ref": "mgga/functional.json"
},
"augmentations": {
"$ref": "mgga/augmentations.json"
},
"modifiers": {
"$ref": "mgga/modifiers.json"
},
"tags": {
"$ref": "mgga/tags.json"
"properties": {
"subtype": {
"enum": [
{
"name": "Meta Generalized Gradient Approximation",
"slug": "mgga"
}
]
},
"functional": {
"$ref": "mgga/functional.json"
},
"augmentations": {
"$ref": "mgga/augmentations.json"
},
"modifiers": {
"$ref": "mgga/modifiers.json"
},
"tags": {
"$ref": "mgga/tags.json"
}
}
}