@mat3ra/esse 2025.11.26-0 → 2025.12.10-3
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/dist/js/schema/context_providers_directory/boundary_conditions_data_provider.json +1 -1
- package/dist/js/schema/context_providers_directory/collinear_magnetization_context_provider.json +1 -1
- package/dist/js/schema/context_providers_directory/hubbard_j_context_provider.json +1 -1
- package/dist/js/schema/context_providers_directory/hubbard_legacy_context_provider.json +1 -1
- package/dist/js/schema/context_providers_directory/hubbard_u_context_provider.json +1 -1
- package/dist/js/schema/context_providers_directory/hubbard_v_context_provider.json +1 -1
- package/dist/js/schema/context_providers_directory/ion_dynamics_context_provider.json +1 -1
- package/dist/js/schema/context_providers_directory/ml_settings_context_provider.json +1 -1
- package/dist/js/schema/context_providers_directory/ml_train_test_split_context_provider.json +1 -1
- package/dist/js/schema/context_providers_directory/neb_data_provider.json +1 -1
- package/dist/js/schema/context_providers_directory/non_collinear_magnetization_context_provider.json +1 -1
- package/dist/js/schema/context_providers_directory/planewave_cutoffs_context_provider.json +1 -1
- package/dist/js/schema/context_providers_directory/points_grid_data_provider.json +1 -1
- package/dist/js/schema/context_providers_directory/points_path_data_provider.json +1 -1
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +14 -14
- package/package.json +2 -2
- package/schema/context_providers_directory/{boundary_conditions_provider.json → boundary_conditions_data_provider.json} +1 -1
- package/schema/context_providers_directory/{collinear_magnetization_provider.json → collinear_magnetization_context_provider.json} +1 -1
- package/schema/context_providers_directory/{hubbard_j_provider.json → hubbard_j_context_provider.json} +8 -2
- package/schema/context_providers_directory/{hubbard_legacy_provider.json → hubbard_legacy_context_provider.json} +1 -1
- package/schema/context_providers_directory/{hubbard_u_provider.json → hubbard_u_context_provider.json} +1 -1
- package/schema/context_providers_directory/{hubbard_v_provider.json → hubbard_v_context_provider.json} +1 -1
- package/schema/context_providers_directory/{ion_dynamics_provider.json → ion_dynamics_context_provider.json} +1 -1
- package/schema/context_providers_directory/{ml_settings_provider.json → ml_settings_context_provider.json} +6 -2
- package/schema/context_providers_directory/{ml_train_test_split_provider.json → ml_train_test_split_context_provider.json} +1 -1
- package/schema/context_providers_directory/{neb_provider.json → neb_data_provider.json} +1 -1
- package/schema/context_providers_directory/{non_collinear_magnetization_provider.json → non_collinear_magnetization_context_provider.json} +1 -1
- package/schema/context_providers_directory/{planewave_cutoffs_provider.json → planewave_cutoffs_context_provider.json} +1 -1
- package/schema/context_providers_directory/{points_grid_provider.json → points_grid_data_provider.json} +5 -2
- package/schema/context_providers_directory/{points_path_provider.json → points_path_data_provider.json} +1 -1
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{
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"$id": "context-providers-directory/boundary-conditions-data-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Boundary Conditions Provider Schema",
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"title": "Boundary Conditions Data Provider Schema",
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"type": "object",
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"properties": {
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"type": {
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package/dist/js/schema/context_providers_directory/collinear_magnetization_context_provider.json
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{
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"$id": "context-providers-directory/collinear-magnetization-context-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Collinear Magnetization Provider Schema",
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"title": "Collinear Magnetization Context Provider Schema",
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"description": "Set starting magnetization, can have values in the range [-1, +1].",
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"type": "object",
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"properties": {
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{
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"$id": "context-providers-directory/hubbard-j-context-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Hubbard J Provider Schema",
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"title": "Hubbard J Context Provider Schema",
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"description": "Hubbard parameters for DFT+U+J calculation.",
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"type": "array",
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"minItems": 1,
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{
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"$id": "context-providers-directory/hubbard-legacy-context-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Hubbard Legacy Provider Schema",
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"title": "Hubbard Legacy Context Provider Schema",
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"description": "Hubbard parameters for DFT+U calculation.",
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"type": "array",
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"uniqueItems": true,
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{
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"$id": "context-providers-directory/hubbard-u-context-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Hubbard U Provider Schema",
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"title": "Hubbard U Context Provider Schema",
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"description": "Hubbard U parameters for DFT+U or DFT+U+V calculation.",
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"type": "array",
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"items": {
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{
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"$id": "context-providers-directory/hubbard-v-context-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Hubbard V Provider Schema",
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"title": "Hubbard V Context Provider Schema",
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"description": "Hubbard V parameters for DFT+U+V calculation.",
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"type": "array",
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"minItems": 1,
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{
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"$id": "context-providers-directory/ion-dynamics-context-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Ion Dynamics Provider Schema",
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"title": "Ion Dynamics Context Provider Schema",
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"description": "Important parameters for molecular dynamics calculation",
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"type": "object",
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"properties": {
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{
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"$id": "context-providers-directory/ml-settings-context-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "ML Settings Provider Schema",
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"title": "ML Settings Context Provider Schema",
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"description": "Settings important to machine learning runs.",
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"type": "object",
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"properties": {
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package/dist/js/schema/context_providers_directory/ml_train_test_split_context_provider.json
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{
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"$id": "context-providers-directory/ml-train-test-split-context-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "ML Train Test Split Provider Schema",
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"title": "ML Train Test Split Context Provider Schema",
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"description": "Fraction held as the test set. For example, a value of 0.2 corresponds to an 80/20 train/test split.",
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"type": "object",
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"properties": {
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{
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"$id": "context-providers-directory/neb-data-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "NEB Provider Schema",
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"title": "NEB Data Provider Schema",
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"description": "Number of intermediate NEB images.",
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"type": "object",
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"properties": {
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package/dist/js/schema/context_providers_directory/non_collinear_magnetization_context_provider.json
CHANGED
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{
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"$id": "context-providers-directory/non-collinear-magnetization-context-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Non Collinear Magnetization Provider Schema",
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"title": "Non Collinear Magnetization Context Provider Schema",
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"description": "Non-collinear magnetization parameters including starting magnetization, spin angles, and constraints.",
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"type": "object",
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"properties": {
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{
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"$id": "context-providers-directory/planewave-cutoffs-context-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Planewave Cutoffs Provider Schema",
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"title": "Planewave Cutoffs Context Provider Schema",
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"description": "Planewave cutoff parameters for electronic wavefunctions and density. Units are specific to simulation engine.",
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"type": "object",
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"properties": {
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"$id": "context-providers-directory/points-grid-data-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Points Grid Provider Schema",
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"title": "Points Grid Data Provider Schema",
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"description": "3D grid with shifts for k-point or q-point sampling.",
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"type": "object",
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"properties": {
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"$id": "context-providers-directory/points-path-data-provider",
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"$schema": "http://json-schema.org/draft-07/schema#",
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"title": "Points Path Provider Schema",
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"title": "Points Path Data Provider Schema",
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"description": "Path in reciprocal space for band structure calculations.",
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"type": "array",
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"minItems": 1,
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