@mat3ra/esse 2024.3.22-0 → 2024.3.25-0

package/dist/js/schema/model/mixins/enum_options.json

@@ -1,22 +0,0 @@
-{
-    "$id": "model/mixins/enum-options",
-    "spinPolarization": {
-        "enum": [
-            "collinear",
-            "non-collinear"
-        ]
-    },
-    "dispersionCorrection": {
-        "enum": [
-            "dft-d2",
-            "dft-d3",
-            "xdm",
-            "ts"
-        ]
-    },
-    "hubbardType": {
-        "enum": [
-            "u"
-        ]
-    }
-}

package/dist/js/schema/model/mixins/hubbard.json

@@ -1,13 +0,0 @@
-{
-    "$id": "model/mixins/hubbard",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "Hubbard model mixin",
-    "type": "object",
-    "properties": {
-        "hubbardType": {
-            "enum": [
-                "u"
-            ]
-        }
-    }
-}

package/dist/js/schema/model/mixins/spin_orbit_coupling.json

@@ -1,12 +0,0 @@
-{
-    "$id": "model/mixins/spin-orbit-coupling",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "Spin-orbit coupling mixin",
-    "type": "object",
-    "additionalProperties": true,
-    "properties": {
-        "spinOrbitCoupling": {
-            "type": "boolean"
-        }
-    }
-}

package/dist/js/schema/model/mixins/spin_polarization.json

@@ -1,15 +0,0 @@
-{
-    "$id": "model/mixins/spin-polarization",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "Spin-polarization mixin",
-    "type": "object",
-    "additionalProperties": true,
-    "properties": {
-        "spinPolarization": {
-            "enum": [
-                "collinear",
-                "non-collinear"
-            ]
-        }
-    }
-}

package/dist/js/schema/model/model_parameters.json

@@ -1,98 +0,0 @@
-{
-    "$id": "model/model-parameters",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "ModelParameters",
-    "type": "object",
-    "oneOf": [
-        {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "LDA functional mixin",
-            "type": "object",
-            "properties": {
-                "functional": {
-                    "enum": [
-                        "pz"
-                    ]
-                }
-            },
-            "additionalProperties": true
-        },
-        {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "GGA functional mixin",
-            "type": "object",
-            "properties": {
-                "functional": {
-                    "enum": [
-                        "pbe",
-                        "pbesol"
-                    ]
-                }
-            },
-            "additionalProperties": true
-        },
-        {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "Meta-GGA functional mixin",
-            "type": "object",
-            "properties": {
-                "functional": {
-                    "enum": [
-                        "scan"
-                    ]
-                }
-            },
-            "additionalProperties": true
-        },
-        {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "Hybrid functional mixin",
-            "type": "object",
-            "properties": {
-                "functional": {
-                    "enum": [
-                        "hse06",
-                        "b3lyp"
-                    ]
-                }
-            }
-        },
-        {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "Double hybrid functional mixin",
-            "type": "object",
-            "properties": {
-                "functional": {
-                    "enum": [
-                        "b2plyp"
-                    ]
-                }
-            }
-        }
-    ],
-    "additionalProperties": true,
-    "properties": {
-        "hubbardType": {
-            "enum": [
-                "u"
-            ]
-        },
-        "spinPolarization": {
-            "enum": [
-                "collinear",
-                "non-collinear"
-            ]
-        },
-        "spinOrbitCoupling": {
-            "type": "boolean"
-        },
-        "dispersionCorrection": {
-            "enum": [
-                "dft-d2",
-                "dft-d3",
-                "xdm",
-                "ts"
-            ]
-        }
-    }
-}

package/dist/js/schema/model/model_without_method.json

@@ -1,321 +0,0 @@
-{
-    "$id": "model/model-without-method",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "model without method schema (base)",
-    "type": "object",
-    "required": [
-        "categories",
-        "parameters"
-    ],
-    "properties": {
-        "categories": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "Reusable categories schema",
-            "description": "Used to categorize entities such as models and methods",
-            "type": "object",
-            "properties": {
-                "tier1": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "tier2": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "tier3": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "type": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                },
-                "subtype": {
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "slugified entry or slug",
-                    "description": "contains either object with slugified entry or slug only as a string",
-                    "oneOf": [
-                        {
-                            "$schema": "http://json-schema.org/draft-07/schema#",
-                            "title": "slugified entry",
-                            "description": "container for machine- and human-readable identifier",
-                            "type": "object",
-                            "properties": {
-                                "name": {
-                                    "description": "descriptive human-readable name of entry",
-                                    "type": "string"
-                                },
-                                "slug": {
-                                    "description": "machine-readable identifier",
-                                    "type": "string"
-                                }
-                            },
-                            "required": [
-                                "name",
-                                "slug"
-                            ]
-                        },
-                        {
-                            "type": "string"
-                        }
-                    ]
-                }
-            }
-        },
-        "parameters": {
-            "type": "object",
-            "description": "Model parameters defined in-place or via model mixins"
-        },
-        "reference": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "literature reference schema",
-            "type": "object",
-            "properties": {
-                "type": {
-                    "enum": [
-                        "literature"
-                    ]
-                },
-                "doi": {
-                    "type": "string",
-                    "description": "Digital Object Identifier of the reference."
-                },
-                "isbn": {
-                    "type": "string",
-                    "description": "International Standard Book Number of the reference."
-                },
-                "issn": {
-                    "type": "string",
-                    "description": "International Standard Serial Number of the reference."
-                },
-                "url": {
-                    "type": "string",
-                    "description": "Internet address of the reference."
-                },
-                "title": {
-                    "type": "string",
-                    "description": "Title of the work."
-                },
-                "publisher": {
-                    "type": "string",
-                    "description": "Publisher of the work."
-                },
-                "journal": {
-                    "type": "string",
-                    "description": "Journal in which the work appeared."
-                },
-                "volume": {
-                    "type": "string",
-                    "description": "Volume of the series in which the work appeared."
-                },
-                "year": {
-                    "type": "string",
-                    "description": "Year in which the reference was published."
-                },
-                "issue": {
-                    "type": "string",
-                    "description": "Issue of the collection in which the work appeared."
-                },
-                "pages": {
-                    "type": "object",
-                    "description": "Start and end pages of the work.",
-                    "$schema": "http://json-schema.org/draft-07/schema#",
-                    "title": "pages schema",
-                    "required": [
-                        "start"
-                    ],
-                    "properties": {
-                        "start": {
-                            "type": "string"
-                        },
-                        "end": {
-                            "type": "string"
-                        }
-                    }
-                },
-                "authors": {
-                    "type": "array",
-                    "description": "List of authors of the work.",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "experiment author schema",
-                        "type": "object",
-                        "required": [
-                            "first",
-                            "last"
-                        ],
-                        "properties": {
-                            "first": {
-                                "type": "string"
-                            },
-                            "middle": {
-                                "type": "string"
-                            },
-                            "last": {
-                                "type": "string"
-                            },
-                            "affiliation": {
-                                "type": "string"
-                            }
-                        }
-                    }
-                },
-                "editors": {
-                    "type": "array",
-                    "description": "List of editors of the work.",
-                    "items": {
-                        "$schema": "http://json-schema.org/draft-07/schema#",
-                        "title": "experiment author schema",
-                        "type": "object",
-                        "required": [
-                            "first",
-                            "last"
-                        ],
-                        "properties": {
-                            "first": {
-                                "type": "string"
-                            },
-                            "middle": {
-                                "type": "string"
-                            },
-                            "last": {
-                                "type": "string"
-                            },
-                            "affiliation": {
-                                "type": "string"
-                            }
-                        }
-                    }
-                },
-                "reference": {
-                    "type": "array",
-                    "description": "References cited by the work. Reference objects can nest as deeply as needed. This is useful, for example, when tracking the history of a value referenced in a scholarly article; the top level reference would contain information about where the data was accessed while the nested reference would contain information about where it was originally published.",
-                    "items": {
-                        "type": "object"
-                    }
-                }
-            }
-        },
-        "name": {
-            "description": "entity name",
-            "type": "string"
-        },
-        "path": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "category path schema",
-            "description": "TODO: Use regex once schema draft version has been updated",
-            "type": "string"
-        },
-        "tags": {
-            "description": "entity tags",
-            "type": "array",
-            "items": {
-                "type": "string"
-            }
-        }
-    }
-}

package/dist/js/schema/model.json

@@ -1,49 +0,0 @@
-{
-    "$id": "model",
-    "$schema": "http://json-schema.org/draft-07/schema#",
-    "title": "base model",
-    "type": "object",
-    "required": [
-        "type",
-        "subtype",
-        "method"
-    ],
-    "additionalProperties": true,
-    "properties": {
-        "type": {
-            "description": "general type of the model, eg. `dft`",
-            "type": "string"
-        },
-        "subtype": {
-            "description": "general subtype of the model, eg. `lda`",
-            "type": "string"
-        },
-        "method": {
-            "$schema": "http://json-schema.org/draft-07/schema#",
-            "title": "base method",
-            "type": "object",
-            "required": [
-                "type",
-                "subtype"
-            ],
-            "properties": {
-                "type": {
-                    "description": "general type of this method, eg. `pseudopotential`",
-                    "type": "string"
-                },
-                "subtype": {
-                    "description": "general subtype of this method, eg. `ultra-soft`",
-                    "type": "string"
-                },
-                "precision": {
-                    "description": "Object showing the actual possible precision based on theory and implementation",
-                    "type": "object"
-                },
-                "data": {
-                    "description": "additional data specific to method, eg. array of pseudopotentials",
-                    "type": "object"
-                }
-            }
-        }
-    }
-}

package/dist/js/schema/models_category/enum_options.json

@@ -1,13 +0,0 @@
-{
-    "$id": "models-category/enum-options",
-    "physicsBased": {
-        "enum": [
-            "pb"
-        ]
-    },
-    "statistical": {
-        "enum": [
-            "st"
-        ]
-    }
-}

package/dist/js/schema/models_category/pb/enum_options.json

@@ -1,8 +0,0 @@
-{
-    "$id": "models-category/pb/enum-options",
-    "quantumMechanical": {
-        "enum": [
-            "qm"
-        ]
-    }
-}

package/dist/js/schema/models_category/pb/qm/abin/enum_options.json

@@ -1,15 +0,0 @@
-{
-    "$id": "models-category/pb/qm/abin/enum-options",
-    "gwApproximation": {
-        "enum": [
-            "gw"
-        ]
-    },
-    "gwSubtypes": {
-        "enum": [
-            "g0w0",
-            "evgw0",
-            "evgw"
-        ]
-    }
-}