@mat3ra/esse 2026.5.18-3 → 2026.5.27-0
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/dist/js/esse/JSONSchemasGenerator.d.ts +2 -1
- package/dist/js/esse/JSONSchemasGenerator.js +1 -1
- package/dist/js/esse/JSONSchemasInterface.d.ts +1 -1
- package/dist/js/esse/JSONSchemasInterface.js +1 -1
- package/dist/js/esse/JSONSchemasInterfaceServer.js +3 -2
- package/dist/js/esse/schemaUtils.d.ts +1 -1
- package/dist/js/esse/schemaUtils.js +2 -1
- package/dist/js/esse/server/utils.d.ts +12 -0
- package/dist/js/esse/server/utils.js +68 -0
- package/dist/js/esse/utils.d.ts +0 -11
- package/dist/js/esse/utils.js +3 -60
- package/dist/js/example/job.json +38 -11
- package/dist/js/example/material.json +7 -1
- package/dist/js/example/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json +35 -5
- package/dist/js/example/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json +28 -4
- package/dist/js/example/materials_category/defective_structures/two_dimensional/adatom/configuration.json +28 -4
- package/dist/js/example/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json +35 -5
- package/dist/js/example/materials_category/defective_structures/two_dimensional/island/configuration.json +42 -6
- package/dist/js/example/materials_category/defective_structures/two_dimensional/terrace/configuration.json +42 -6
- package/dist/js/example/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.json +14 -2
- package/dist/js/example/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.json +14 -2
- package/dist/js/example/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.json +14 -2
- package/dist/js/example/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.json +7 -1
- package/dist/js/example/materials_category/pristine_structures/two_dimensional/nanoribbon.json +21 -3
- package/dist/js/example/materials_category/pristine_structures/two_dimensional/nanotape.json +14 -2
- package/dist/js/example/materials_category/pristine_structures/two_dimensional/slab.json +14 -2
- package/dist/js/example/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json +14 -2
- package/dist/js/example/materials_category/processed_structures/two_dimensional/passivation/configuration.json +28 -4
- package/dist/js/example/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json +7 -1
- package/dist/js/example/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.json +7 -1
- package/dist/js/example/materials_category_components/entities/core/three_dimensional/crystal.json +7 -1
- package/dist/js/example/materials_category_components/entities/core/two_dimensional/vacuum.json +7 -1
- package/dist/js/example/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.json +7 -1
- package/dist/js/example/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.json +7 -1
- package/dist/js/example/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json +28 -4
- package/dist/js/example/materials_category_components/operations/core/combinations/merge.json +14 -2
- package/dist/js/example/materials_category_components/operations/core/combinations/stack.json +14 -2
- package/dist/js/example/materials_category_components/operations/core/modifications/perturb.json +7 -1
- package/dist/js/example/model.json +2 -1
- package/dist/js/example/software/application.json +1 -0
- package/dist/js/example/software/executable.json +3 -4
- package/dist/js/example/software/flavor.json +9 -2
- package/dist/js/example/software/template.json +5 -8
- package/dist/js/example/software_directory/modeling/espresso.json +2 -1
- package/dist/js/example/software_directory/modeling/nwchem.json +3 -1
- package/dist/js/example/software_directory/modeling/unit/execution.json +57 -15
- package/dist/js/example/software_directory/modeling/vasp.json +2 -1
- package/dist/js/example/software_directory/scripting/jupyter_lab.json +2 -1
- package/dist/js/example/software_directory/scripting/python.json +2 -1
- package/dist/js/example/software_directory/scripting/shell.json +2 -1
- package/dist/js/example/software_directory/scripting/unit/execution.json +57 -15
- package/dist/js/example/system/runtime_items.json +14 -0
- package/dist/js/example/workflow/subworkflow.json +32 -10
- package/dist/js/example/workflow/unit/assignment.json +5 -1
- package/dist/js/example/workflow/unit/condition.json +5 -1
- package/dist/js/example/workflow/unit/execution.json +29 -9
- package/dist/js/example/workflow/unit/io/api.json +1 -0
- package/dist/js/example/workflow/unit/io/db_collection.json +5 -0
- package/dist/js/example/workflow/unit/io/db_ids.json +6 -0
- package/dist/js/example/workflow/unit/io/object_storage.json +2 -1
- package/dist/js/example/workflow/unit/io.json +22 -2
- package/dist/js/example/workflow/unit/map.json +5 -1
- package/dist/js/example/workflow/unit/reduce.json +5 -1
- package/dist/js/example/workflow.json +38 -11
- package/dist/js/schema/apse/file/applications/espresso/7.2/pw.x/atomic_species.json +5 -0
- package/dist/js/schema/apse/file/applications/espresso/7.2/pw.x.json +5 -0
- package/dist/js/schema/context_providers_directory/by_application/nwchem_total_energy_context_provider.json +7 -1
- package/dist/js/schema/context_providers_directory/by_application/qe_neb_context_provider.json +164 -6
- package/dist/js/schema/context_providers_directory/by_application/qe_pwx_base_context_provider.json +10 -0
- package/dist/js/schema/context_providers_directory/by_application/qe_pwx_context_provider.json +17 -1
- package/dist/js/schema/context_providers_directory/by_application/vasp_context_provider.json +7 -1
- package/dist/js/schema/context_providers_directory/by_application/vasp_neb_context_provider.json +7 -1
- package/dist/js/schema/context_providers_directory/collinear_magnetization_context_provider.json +14 -0
- package/dist/js/schema/context_providers_directory/non_collinear_magnetization_context_provider.json +7 -0
- package/dist/js/schema/context_providers_directory/points_grid_data_provider.json +23 -6
- package/dist/js/schema/context_providers_directory/points_path_data_provider.json +6 -2
- package/dist/js/schema/context_providers_directory/points_path_data_provider_rendering.json +32 -0
- package/dist/js/schema/core/primitive/linked_list/named_node.json +2 -1
- package/dist/js/schema/core/primitive/linked_list/named_node_in_group.json +2 -1
- package/dist/js/schema/core/primitive/linked_list.json +4 -2
- package/dist/js/schema/in_memory_entity/has_consistency_check_has_metadata_named_defaultable.json +3 -0
- package/dist/js/schema/in_memory_entity/named.json +3 -0
- package/dist/js/schema/in_memory_entity/named_defaultable.json +3 -0
- package/dist/js/schema/in_memory_entity/named_defaultable_has_metadata.json +3 -0
- package/dist/js/schema/in_memory_entity/named_defaultable_runtime_items.json +3 -0
- package/dist/js/schema/job/base.json +133 -132
- package/dist/js/schema/job/compute.json +1 -1
- package/dist/js/schema/job/compute_property.json +182 -0
- package/dist/js/schema/job.json +3829 -4566
- package/dist/js/schema/material/material_properties.json +736 -0
- package/dist/js/schema/material/metadata/boundary_conditions.json +32 -0
- package/dist/js/schema/material/metadata/bulk_properties.json +13 -0
- package/dist/js/schema/material/metadata/slab_properties.json +41 -0
- package/dist/js/schema/material/metadata.json +101 -0
- package/dist/js/schema/material.json +117 -27
- package/dist/js/schema/materials_category/compound_pristine_structures/two_dimensional/interface/configuration.json +1069 -268
- package/dist/js/schema/materials_category/defective_structures/one_dimensional/grain_boundary_linear/configuration.json +1069 -268
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/adatom/configuration.json +464 -108
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/grain_boundary_planar/configuration.json +1069 -268
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/island/configuration.json +698 -164
- package/dist/js/schema/materials_category/defective_structures/two_dimensional/terrace/configuration.json +698 -164
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/base_configuration.json +116 -27
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.json +232 -54
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.json +232 -54
- package/dist/js/schema/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.json +116 -27
- package/dist/js/schema/materials_category/pristine_structures/three_dimensional/ideal_crystal.json +116 -27
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanoribbon.json +348 -81
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/nanotape.json +232 -54
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab.json +232 -54
- package/dist/js/schema/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.json +232 -54
- package/dist/js/schema/materials_category/processed_structures/two_dimensional/passivation/configuration.json +233 -54
- package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/crystal_site.json +116 -27
- package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.json +116 -27
- package/dist/js/schema/materials_category_components/entities/auxiliary/zero_dimensional/void_region.json +116 -27
- package/dist/js/schema/materials_category_components/entities/core/three_dimensional/crystal.json +116 -27
- package/dist/js/schema/materials_category_components/entities/core/two_dimensional/vacuum.json +116 -27
- package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines.json +116 -27
- package/dist/js/schema/materials_category_components/entities/reusable/one_dimensional/crystal_lattice_lines_unique_repeated.json +116 -27
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/crystal_lattice_base.json +116 -27
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.json +116 -27
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/strained_uniform.json +116 -27
- package/dist/js/schema/materials_category_components/entities/reusable/three_dimensional/supercell.json +116 -27
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers.json +116 -27
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique.json +116 -27
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/atomic_layers_unique_repeated.json +116 -27
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/crystal_lattice_planes.json +116 -27
- package/dist/js/schema/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.json +348 -81
- package/dist/js/schema/materials_category_components/operations/core/modifications/perturb.json +117 -27
- package/dist/js/schema/method/categorized_method.json +4 -0
- package/dist/js/schema/method/unit_method.json +3 -0
- package/dist/js/schema/method.json +7 -1
- package/dist/js/schema/methods_directory/legacy/localorbital.json +7 -1
- package/dist/js/schema/methods_directory/legacy/pseudopotential.json +7 -1
- package/dist/js/schema/methods_directory/legacy/regression.json +4 -0
- package/dist/js/schema/methods_directory/legacy/unknown.json +7 -1
- package/dist/js/schema/methods_directory/mathematical/cg.json +2 -1
- package/dist/js/schema/methods_directory/mathematical/davidson.json +2 -1
- package/dist/js/schema/methods_directory/mathematical/regression.json +3 -2
- package/dist/js/schema/methods_directory/physical/ao/dunning.json +2 -1
- package/dist/js/schema/methods_directory/physical/ao/other.json +2 -1
- package/dist/js/schema/methods_directory/physical/ao/pople.json +2 -1
- package/dist/js/schema/methods_directory/physical/psp.json +2 -1
- package/dist/js/schema/methods_directory/physical/pw.json +2 -1
- package/dist/js/schema/methods_directory/physical/smearing.json +2 -1
- package/dist/js/schema/methods_directory/physical/tetrahedron.json +2 -1
- package/dist/js/schema/model/categorized_model.json +5 -0
- package/dist/js/schema/model/model_without_method.json +1 -0
- package/dist/js/schema/model.json +7 -2
- package/dist/js/schema/models_directory/double_hybrid.json +1 -0
- package/dist/js/schema/models_directory/gga.json +1 -0
- package/dist/js/schema/models_directory/gw.json +1 -0
- package/dist/js/schema/models_directory/hybrid.json +1 -0
- package/dist/js/schema/models_directory/lda.json +1 -0
- package/dist/js/schema/models_directory/legacy/any.json +488 -0
- package/dist/js/schema/models_directory/legacy/dft.json +267 -39
- package/dist/js/schema/models_directory/legacy/ml.json +10 -9
- package/dist/js/schema/models_directory/legacy/unknown.json +10 -9
- package/dist/js/schema/models_directory/mgga.json +1 -0
- package/dist/js/schema/models_directory/re.json +1 -0
- package/dist/js/schema/project.json +3 -0
- package/dist/js/schema/properties_directory/non_scalar/workflow.json +3682 -4421
- package/dist/js/schema/property/holder.json +3717 -4456
- package/dist/js/schema/software/application.json +53 -24
- package/dist/js/schema/software/application_properties.json +68 -0
- package/dist/js/schema/software/application_with_build_config.json +52 -23
- package/dist/js/schema/software/executable.json +67 -108
- package/dist/js/schema/software/executable_properties.json +24 -0
- package/dist/js/schema/software/flavor.json +90 -128
- package/dist/js/schema/software/flavor_properties.json +50 -0
- package/dist/js/schema/software/template.json +30 -35
- package/dist/js/schema/software/template_properties.json +44 -0
- package/dist/js/schema/software_directory/modeling/deepmd.json +48 -19
- package/dist/js/schema/software_directory/modeling/lammps.json +47 -18
- package/dist/js/schema/software_directory/modeling/nwchem.json +48 -19
- package/dist/js/schema/software_directory/modeling/unit/execution.json +2019 -455
- package/dist/js/schema/software_directory/modeling/vasp.json +48 -19
- package/dist/js/schema/software_directory/scripting/jupyter_lab.json +48 -19
- package/dist/js/schema/software_directory/scripting/python.json +48 -19
- package/dist/js/schema/software_directory/scripting/shell.json +48 -19
- package/dist/js/schema/software_directory/scripting/unit/execution.json +2019 -455
- package/dist/js/schema/system/bankable.json +4 -0
- package/dist/js/schema/system/creator.json +2 -1
- package/dist/js/schema/system/creator_account.json +3 -0
- package/dist/js/schema/system/in_set.json +3 -0
- package/dist/js/schema/system/name.json +3 -0
- package/dist/js/schema/system/owner.json +2 -1
- package/dist/js/schema/system/path_entity.json +3 -0
- package/dist/js/schema/system/runtime_item.json +17 -0
- package/dist/js/schema/system/runtime_items.json +94 -0
- package/dist/js/schema/workflow/base.json +4591 -39
- package/dist/js/schema/workflow/base_flow.json +1 -1
- package/dist/js/schema/workflow/subworkflow/mixin.json +3919 -0
- package/dist/js/schema/workflow/subworkflow/unit.json +2365 -1560
- package/dist/js/schema/workflow/subworkflow.json +3137 -1852
- package/dist/js/schema/workflow/unit/assertion.json +96 -140
- package/dist/js/schema/workflow/unit/assignment.json +129 -173
- package/dist/js/schema/workflow/unit/base.json +90 -133
- package/dist/js/schema/workflow/unit/condition.json +132 -175
- package/dist/js/schema/workflow/unit/context/_base.json +20 -0
- package/dist/js/schema/workflow/unit/context/_extra_data_material_hash.json +14 -0
- package/dist/js/schema/workflow/unit/context/item/boundaryConditions.json +63 -0
- package/dist/js/schema/workflow/unit/context/item/collinearMagnetization.json +82 -0
- package/dist/js/schema/workflow/unit/context/item/cutoffs.json +38 -0
- package/dist/js/schema/workflow/unit/context/item/dynamics.json +48 -0
- package/dist/js/schema/workflow/unit/context/item/grid.json +100 -0
- package/dist/js/schema/workflow/unit/context/item/hubbard_j.json +59 -0
- package/dist/js/schema/workflow/unit/context/item/hubbard_legacy.json +49 -0
- package/dist/js/schema/workflow/unit/context/item/hubbard_u.json +57 -0
- package/dist/js/schema/workflow/unit/context/item/hubbard_v.json +64 -0
- package/dist/js/schema/workflow/unit/context/item/input.json +712 -0
- package/dist/js/schema/workflow/unit/context/item/mlSettings.json +43 -0
- package/dist/js/schema/workflow/unit/context/item/mlTrainTestSplit.json +37 -0
- package/dist/js/schema/workflow/unit/context/item/neb.json +35 -0
- package/dist/js/schema/workflow/unit/context/item/nonCollinearMagnetization.json +150 -0
- package/dist/js/schema/workflow/unit/context/item/path.json +62 -0
- package/dist/js/schema/workflow/unit/context/item.json +1594 -0
- package/dist/js/schema/workflow/unit/execution.json +1928 -423
- package/dist/js/schema/workflow/unit/input/_input.json +74 -12
- package/dist/js/schema/workflow/unit/input/_inputItem.json +70 -10
- package/dist/js/schema/workflow/unit/input/_inputItemId.json +3 -1
- package/dist/js/schema/workflow/unit/io/api.json +5 -1
- package/dist/js/schema/workflow/unit/io/db_collection.json +24 -0
- package/dist/js/schema/workflow/unit/io/db_ids.json +22 -0
- package/dist/js/schema/workflow/unit/io/object_storage.json +5 -1
- package/dist/js/schema/workflow/unit/io.json +182 -253
- package/dist/js/schema/workflow/unit/map.json +134 -177
- package/dist/js/schema/workflow/unit/mixins/assertion.json +23 -0
- package/dist/js/schema/workflow/unit/mixins/assignment.json +57 -0
- package/dist/js/schema/workflow/unit/mixins/base.json +50 -0
- package/dist/js/schema/workflow/unit/mixins/condition.json +61 -0
- package/dist/js/schema/workflow/unit/mixins/execution.json +1998 -0
- package/dist/js/schema/workflow/unit/mixins/io.json +131 -0
- package/dist/js/schema/workflow/unit/mixins/map.json +60 -0
- package/dist/js/schema/workflow/unit/mixins/processing.json +27 -0
- package/dist/js/schema/workflow/unit/mixins/reduce.json +43 -0
- package/dist/js/schema/workflow/unit/mixins/subworkflow.json +11 -0
- package/dist/js/schema/workflow/unit/reduce.json +117 -160
- package/dist/js/schema/workflow/unit/subworkflow.json +91 -134
- package/dist/js/schema/workflow/unit.json +285 -2477
- package/dist/js/schema/workflow.json +3684 -4422
- package/dist/js/schemas.json +1 -1
- package/dist/js/scripts/compileTs.js +1 -1
- package/dist/js/scripts/setSchemaIds.js +2 -1
- package/dist/js/types.d.ts +27163 -15301
- package/dist/js/types.js +5 -5
- package/dist/js/utils/ajv.js +5 -4
- package/dist/js/utils/common.js +3 -2
- package/dist/js/utils/filesystem.js +3 -2
- package/example/material.json +7 -1
- package/example/model.json +2 -1
- package/example/software/application.json +1 -0
- package/example/software/executable.json +3 -4
- package/example/software/flavor.json +9 -2
- package/example/software/template.json +5 -8
- package/example/software_directory/modeling/espresso.json +2 -1
- package/example/software_directory/modeling/nwchem.json +4 -2
- package/example/software_directory/modeling/unit/execution.json +17 -2
- package/example/software_directory/modeling/vasp.json +2 -1
- package/example/software_directory/scripting/jupyter-lab.json +2 -1
- package/example/software_directory/scripting/python.json +2 -1
- package/example/software_directory/scripting/shell.json +2 -1
- package/example/software_directory/scripting/unit/execution.json +17 -2
- package/example/system/runtime_items.json +14 -0
- package/example/workflow/unit/assignment.json +5 -1
- package/example/workflow/unit/condition.json +5 -1
- package/example/workflow/unit/execution.json +7 -3
- package/example/workflow/unit/io/api.json +1 -0
- package/example/workflow/unit/io/db_collection.json +5 -0
- package/example/workflow/unit/io/db_ids.json +6 -0
- package/example/workflow/unit/io/object_storage.json +2 -1
- package/example/workflow/unit/io.json +9 -29
- package/example/workflow/unit/map.json +5 -1
- package/example/workflow/unit/reduce.json +5 -1
- package/example/workflow.json +6 -1
- package/package.json +2 -1
- package/schema/apse/file/applications/espresso/7.2/pw.x/atomic_species.json +6 -1
- package/schema/context_providers_directory/by_application/nwchem_total_energy_context_provider.json +7 -1
- package/schema/context_providers_directory/by_application/qe_neb_context_provider.json +12 -6
- package/schema/context_providers_directory/by_application/qe_pwx_context_provider.json +10 -1
- package/schema/context_providers_directory/by_application/vasp_context_provider.json +7 -1
- package/schema/context_providers_directory/by_application/vasp_neb_context_provider.json +7 -1
- package/schema/context_providers_directory/collinear_magnetization_context_provider.json +18 -4
- package/schema/context_providers_directory/non_collinear_magnetization_context_provider.json +7 -0
- package/schema/context_providers_directory/points_grid_data_provider.json +24 -7
- package/schema/context_providers_directory/points_path_data_provider.json +7 -3
- package/schema/context_providers_directory/points_path_data_provider_rendering.json +32 -0
- package/schema/job/base.json +4 -5
- package/schema/job/compute.json +1 -1
- package/schema/job/compute_property.json +15 -0
- package/schema/material/material_properties.json +65 -0
- package/schema/material/metadata/boundary_conditions.json +24 -0
- package/schema/material/metadata/bulk_properties.json +13 -0
- package/schema/material/metadata/slab_properties.json +41 -0
- package/schema/material/metadata.json +27 -0
- package/schema/material.json +5 -57
- package/schema/method.json +7 -1
- package/schema/model.json +0 -1
- package/schema/models_directory/legacy/any.json +20 -0
- package/schema/models_directory/legacy/dft.json +63 -12
- package/schema/models_directory/legacy/ml.json +10 -7
- package/schema/models_directory/legacy/unknown.json +10 -7
- package/schema/software/application.json +4 -35
- package/schema/software/application_properties.json +68 -0
- package/schema/software/executable.json +5 -23
- package/schema/software/executable_properties.json +24 -0
- package/schema/software/flavor.json +6 -28
- package/schema/software/flavor_properties.json +33 -0
- package/schema/software/template.json +2 -26
- package/schema/software/template_properties.json +44 -0
- package/schema/system/bankable.json +5 -1
- package/schema/system/creator.json +4 -1
- package/schema/system/creator_account.json +4 -1
- package/schema/system/in_set.json +4 -1
- package/schema/system/name.json +4 -1
- package/schema/system/owner.json +4 -1
- package/schema/system/runtime_item.json +17 -0
- package/schema/system/runtime_items.json +42 -0
- package/schema/workflow/base.json +17 -17
- package/schema/workflow/subworkflow/mixin.json +48 -0
- package/schema/workflow/subworkflow/unit.json +0 -6
- package/schema/workflow/subworkflow.json +4 -31
- package/schema/workflow/unit/assertion.json +2 -16
- package/schema/workflow/unit/assignment.json +2 -34
- package/schema/workflow/unit/base.json +6 -51
- package/schema/workflow/unit/condition.json +2 -38
- package/schema/workflow/unit/context/_base.json +20 -0
- package/schema/workflow/unit/context/_extra_data_material_hash.json +14 -0
- package/schema/workflow/unit/context/item/boundaryConditions.json +27 -0
- package/schema/workflow/unit/context/item/collinearMagnetization.json +27 -0
- package/schema/workflow/unit/context/item/cutoffs.json +20 -0
- package/schema/workflow/unit/context/item/dynamics.json +20 -0
- package/schema/workflow/unit/context/item/grid.json +31 -0
- package/schema/workflow/unit/context/item/hubbard_j.json +20 -0
- package/schema/workflow/unit/context/item/hubbard_legacy.json +20 -0
- package/schema/workflow/unit/context/item/hubbard_u.json +27 -0
- package/schema/workflow/unit/context/item/hubbard_v.json +20 -0
- package/schema/workflow/unit/context/item/input.json +47 -0
- package/schema/workflow/unit/context/item/mlSettings.json +20 -0
- package/schema/workflow/unit/context/item/mlTrainTestSplit.json +20 -0
- package/schema/workflow/unit/context/item/neb.json +20 -0
- package/schema/workflow/unit/context/item/nonCollinearMagnetization.json +27 -0
- package/schema/workflow/unit/context/item/path.json +33 -0
- package/schema/workflow/unit/context/item.json +55 -0
- package/schema/workflow/unit/execution.json +4 -25
- package/schema/workflow/unit/input/_input.json +1 -1
- package/schema/workflow/unit/input/_inputItem.json +9 -9
- package/schema/workflow/unit/input/_inputItemId.json +3 -1
- package/schema/workflow/unit/io/api.json +6 -2
- package/schema/workflow/unit/io/db_collection.json +24 -0
- package/schema/workflow/unit/io/db_ids.json +22 -0
- package/schema/workflow/unit/io/object_storage.json +6 -2
- package/schema/workflow/unit/io.json +2 -39
- package/schema/workflow/unit/map.json +2 -53
- package/schema/workflow/unit/mixins/assertion.json +23 -0
- package/schema/workflow/unit/mixins/assignment.json +42 -0
- package/schema/workflow/unit/mixins/base.json +50 -0
- package/schema/workflow/unit/mixins/condition.json +46 -0
- package/schema/workflow/unit/mixins/execution.json +49 -0
- package/schema/workflow/unit/mixins/io.json +46 -0
- package/schema/workflow/unit/mixins/map.json +61 -0
- package/schema/workflow/unit/{processing.json → mixins/processing.json} +3 -7
- package/schema/workflow/unit/mixins/reduce.json +44 -0
- package/schema/workflow/unit/mixins/subworkflow.json +12 -0
- package/schema/workflow/unit/reduce.json +2 -36
- package/schema/workflow/unit/subworkflow.json +4 -6
- package/schema/workflow/unit.json +1 -19
- package/schema/workflow.json +19 -15
- package/src/js/esse/JSONSchemasGenerator.ts +2 -1
- package/src/js/esse/JSONSchemasInterface.ts +1 -1
- package/src/js/esse/schemaUtils.ts +1 -1
- package/src/js/esse/server/utils.ts +82 -0
- package/src/js/esse/utils.ts +0 -74
- package/src/js/scripts/compileTs.ts +1 -1
- package/src/js/scripts/setSchemaIds.ts +1 -0
- package/src/js/utils/ajv.ts +1 -1
- package/dist/js/example/workflow/unit/io/db.json +0 -15
- package/dist/js/example/workflow/unit/processing.json +0 -13
- package/dist/js/schema/workflow/unit/io/db.json +0 -40
- package/dist/js/schema/workflow/unit/processing.json +0 -242
- package/example/workflow/unit/io/db.json +0 -15
- package/example/workflow/unit/processing.json +0 -13
- package/schema/workflow/unit/io/db.json +0 -40
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{
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"description": "A runtime item is a name of a pre-processor, post-processor, monitor, or result for a calculation. Can contain additional properties basename, filetype etc.",
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"title": "runtime item name object schema",
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"description": "A runtime item is a name of a pre-processor, post-processor, monitor, or result for a calculation. Can contain additional properties basename, filetype etc.",
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"title": "runtime item name object schema",
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"description": "A runtime item is a name of a pre-processor, post-processor, monitor, or result for a calculation. Can contain additional properties basename, filetype etc.",
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"description": "A runtime item is a name of a pre-processor, post-processor, monitor, or result for a calculation. Can contain additional properties basename, filetype etc.",
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"description": "The name of this item. e.g. scf_accuracy",
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