@mat3ra/esse 2025.4.26-0 → 2025.5.13-0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/.eslintrc.json +3 -9
- package/.prettierrc +2 -1
- package/dist/js/example/material/reusable/repetitions.json +5 -0
- package/dist/js/example/material/reusable/slab/miller_indices.json +5 -0
- package/dist/js/example/material/reusable/slab/number_of_layers.json +1 -0
- package/dist/js/example/material/reusable/slab/termination.json +4 -0
- package/dist/js/example/material/reusable/slab/vacuum.json +1 -0
- package/dist/js/example/material/reusable/supercell_matrix_2d.json +10 -0
- package/dist/js/example/material/reusable/supercell_matrix_3d.json +17 -0
- package/dist/js/example/materials_category/single_material/two_dimensional/slab/configuration.json +150 -0
- package/dist/js/schema/core/abstract/coordinate_2d.json +11 -0
- package/dist/js/schema/material/reusable/repetitions.json +18 -0
- package/dist/js/schema/material/reusable/slab/enums.json +11 -0
- package/dist/js/schema/material/reusable/slab/miller_indices.json +17 -0
- package/dist/js/schema/material/reusable/slab/number_of_layers.json +9 -0
- package/dist/js/schema/material/reusable/slab/termination.json +23 -0
- package/dist/js/schema/material/reusable/slab/vacuum.json +9 -0
- package/dist/js/schema/material/reusable/supercell_matrix_2d.json +27 -0
- package/dist/js/schema/material/reusable/supercell_matrix_3d.json +34 -0
- package/dist/js/schema/materials_category/single_material/two_dimensional/slab/configuration.json +709 -0
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +360 -0
- package/example/material/reusable/repetitions.json +1 -0
- package/example/material/reusable/slab/miller_indices.json +5 -0
- package/example/material/reusable/slab/number_of_layers.json +1 -0
- package/example/material/reusable/slab/termination.json +4 -0
- package/example/material/reusable/slab/vacuum.json +1 -0
- package/example/material/reusable/supercell_matrix_2d.json +10 -0
- package/example/material/reusable/supercell_matrix_3d.json +5 -0
- package/example/materials_category/single_material/two_dimensional/slab/configuration.json +25 -0
- package/package.json +10 -4
- package/schema/core/abstract/coordinate_2d.json +11 -0
- package/schema/material/reusable/repetitions.json +18 -0
- package/schema/material/reusable/slab/enums.json +11 -0
- package/schema/material/reusable/slab/miller_indices.json +17 -0
- package/schema/material/reusable/slab/number_of_layers.json +9 -0
- package/schema/material/reusable/slab/termination.json +23 -0
- package/schema/material/reusable/slab/vacuum.json +9 -0
- package/schema/material/reusable/supercell_matrix_2d.json +27 -0
- package/schema/material/reusable/supercell_matrix_3d.json +34 -0
- package/schema/materials_category/single_material/two_dimensional/slab/configuration.json +42 -0
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{
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"$id": "materials-category/single-material/two-dimensional/slab/configuration",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Slab Configuration Schema",
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"description": "Configuration for creating a slab from a bulk material",
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"type": "object",
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"properties": {
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"bulk": {
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"$ref": "../../../../material.json"
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},
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"miller_indices": {
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"$ref": "../../../../material/reusable/slab/miller_indices.json"
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},
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"number_of_layers": {
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"$ref": "../../../../material/reusable/slab/number_of_layers.json"
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},
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"vacuum": {
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"$ref": "../../../../material/reusable/slab/vacuum.json"
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},
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"xy_supercell_matrix": {
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"$ref": "../../../../material/reusable/supercell_matrix_2d.json"
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},
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"use_conventional_cell": {
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"title": "Use Conventional Cell",
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"description": "Whether to use conventional cell",
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"type": "boolean",
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"default": true
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},
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"use_orthogonal_z": {
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"title": "Use Orthogonal Z",
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"description": "Whether to make z-axis orthogonal",
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"type": "boolean",
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"default": false
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},
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"make_primitive": {
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"title": "Make Primitive",
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"description": "Whether to make the slab primitive",
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"type": "boolean",
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"default": false
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}
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}
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}
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