@mat3ra/esse 2026.5.30-0 → 2026.6.12-0
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/example/core/reusable/formation_energy_contribution.json +9 -0
- package/dist/js/example/properties_directory/non_scalar/formation_energy_contributions.json +32 -0
- package/dist/js/schema/core/reusable/formation_energy_contribution.json +53 -0
- package/dist/js/schema/job.json +15 -28
- package/dist/js/schema/properties_directory/enum_options.json +8 -1
- package/dist/js/schema/properties_directory/non_scalar/formation_energy_contributions.json +73 -0
- package/dist/js/schema/properties_directory/non_scalar/workflow.json +15 -28
- package/dist/js/schema/property/holder.json +87 -28
- package/dist/js/schema/software_directory/modeling/unit/execution.json +15 -28
- package/dist/js/schema/software_directory/scripting/unit/execution.json +15 -28
- package/dist/js/schema/workflow/base.json +15 -28
- package/dist/js/schema/workflow/subworkflow/mixin.json +15 -28
- package/dist/js/schema/workflow/subworkflow/unit.json +15 -28
- package/dist/js/schema/workflow/subworkflow.json +15 -28
- package/dist/js/schema/workflow/unit/context/_extra_data_material_hash.json +2 -4
- package/dist/js/schema/workflow/unit/context/item/boundaryConditions.json +2 -4
- package/dist/js/schema/workflow/unit/context/item/collinearMagnetization.json +2 -4
- package/dist/js/schema/workflow/unit/context/item/grid.json +2 -4
- package/dist/js/schema/workflow/unit/context/item/hubbard_u.json +2 -4
- package/dist/js/schema/workflow/unit/context/item/input.json +2 -4
- package/dist/js/schema/workflow/unit/context/item/nonCollinearMagnetization.json +2 -4
- package/dist/js/schema/workflow/unit/context/item/path.json +2 -4
- package/dist/js/schema/workflow/unit/context/item.json +14 -28
- package/dist/js/schema/workflow/unit/execution.json +15 -28
- package/dist/js/schema/workflow/unit/mixins/execution.json +15 -28
- package/dist/js/schema/workflow.json +15 -28
- package/dist/js/schemas.json +1 -1
- package/dist/js/types.d.ts +505 -100
- package/example/core/reusable/formation_energy_contribution.json +9 -0
- package/example/properties_directory/non-scalar/formation_energy_contributions.json +32 -0
- package/manifest/properties.yaml +5 -0
- package/package.json +1 -1
- package/schema/core/reusable/formation_energy_contribution.json +53 -0
- package/schema/properties_directory/enum_options.json +8 -1
- package/schema/properties_directory/non-scalar/formation_energy_contributions.json +24 -0
- package/schema/property/holder.json +3 -0
- package/schema/workflow/unit/context/_extra_data_material_hash.json +3 -5
- package/schema/workflow/unit/mixins/execution.json +1 -0
package/dist/js/types.d.ts
CHANGED
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@@ -5090,6 +5090,40 @@ export interface FileMetadata {
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*/
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filetype?: string;
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}
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+
/** Schema dist/js/schema/core/reusable/formation_energy_contribution.json */
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/**
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* Total energy contribution of one material used in formation energy calculation.
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*/
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export interface FormationEnergyContributionSchema {
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/**
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* formula or label for the material used in the formation energy calculation
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*/
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formula: string;
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/**
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* number of atoms in the material
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*/
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n_atoms: number;
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/**
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* whether the material is an elemental reference
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*/
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is_elemental: boolean;
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/**
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* total energy of the material
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*/
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total_energy: number;
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/**
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* total energy per atom of the material
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*/
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total_energy_per_atom: number;
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/**
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* precision value for the total energy property
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*/
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precision_value: number;
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/**
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* metric used to report total energy precision
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*/
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precision_metric: "unknown" | "KPPRA" | "spacing";
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}
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/** Schema dist/js/schema/core/reusable/frequency_function_matrix.json */
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/**
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* Schema for a function of frequency yielding a nx3 matrix
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@@ -7148,7 +7182,10 @@ export interface JobSchema {
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contextProviderName: "vasp-neb";
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};
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extraData: {
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-
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/**
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* UI only property used to track material change for re-render
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*/
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materialHash?: string;
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};
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isEdited: boolean;
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} | {
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preferGridMetric?: boolean;
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};
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extraData: {
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/**
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* UI only property used to track material change for re-render
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*/
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materialHash?: string;
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};
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} | {
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}[]
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];
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extraData: {
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/**
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* UI only property used to track material change for re-render
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*/
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materialHash?: string;
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};
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isEdited: boolean;
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} | {
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hubbardUValue?: number;
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}[];
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extraData: {
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/**
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* UI only property used to track material change for re-render
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*/
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materialHash?: string;
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};
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isEdited: boolean;
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} | {
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targetFermiEnergy?: number;
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};
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extraData: {
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/**
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* UI only property used to track material change for re-render
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*/
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materialHash?: string;
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};
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isEdited: boolean;
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} | {
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totalMagnetization: number;
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};
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extraData: {
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/**
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* UI only property used to track material change for re-render
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*/
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materialHash?: string;
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};
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isEdited: boolean;
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} | {
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};
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};
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extraData: {
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-
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/**
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* UI only property used to track material change for re-render
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*/
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materialHash?: string;
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};
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isEdited: boolean;
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})[];
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@@ -52190,7 +52245,7 @@ export type ExternalSource = "ICSD" | "MaterialsProject" | "MaterialsProjectLega
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* This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
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* via the `definition` "PropertyType".
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*/
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-
export type PropertyType = "scalar" | "non-scalar" | "tensor" | "object";
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+
export type PropertyType = "scalar" | "non-scalar" | "tensor" | "object" | "array-of-objects";
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/**
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* This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
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* via the `definition` "ScalarPropertyEnum".
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@@ -52211,6 +52266,11 @@ export type TensorPropertyEnum = "atomic_forces" | "magnetic_moments" | "stress_
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* via the `definition` "ObjectPropertyEnum".
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*/
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export type ObjectPropertyEnum = "total_energy_contributions";
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/**
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* This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
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* via the `definition` "ArrayOfObjectsPropertyEnum".
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*/
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export type ArrayOfObjectsPropertyEnum = "formation_energy_contributions";
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/**
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* This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
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* via the `definition` "ProtoPropertyEnum".
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@@ -52492,6 +52552,43 @@ export interface FinalStructurePropertySchema {
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*/
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materialId: string;
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}
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/** Schema dist/js/schema/properties_directory/non_scalar/formation_energy_contributions.json */
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/**
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* Elemental reference total energies used to calculate formation energy.
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*/
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export interface FormationEnergyContributionsPropertySchema {
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name: "formation_energy_contributions";
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values: {
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/**
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* formula or label for the material used in the formation energy calculation
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*/
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formula: string;
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/**
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* number of atoms in the material
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*/
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n_atoms: number;
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/**
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* whether the material is an elemental reference
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*/
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is_elemental: boolean;
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/**
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* total energy of the material
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*/
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total_energy: number;
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/**
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* total energy per atom of the material
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*/
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total_energy_per_atom: number;
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/**
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* precision value for the total energy property
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*/
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precision_value: number;
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/**
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* metric used to report total energy precision
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*/
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precision_metric: "unknown" | "KPPRA" | "spacing";
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}[];
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}
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/** Schema dist/js/schema/properties_directory/non_scalar/hubbard_u.json */
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/**
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* Hubbard U values in eV corresponding to atomic species, orbital and site number.
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contextProviderName: "vasp-neb";
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};
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extraData: {
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/**
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*/
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};
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} | {
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* UI only property used to track material change for re-render
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*/
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};
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} | {
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*/
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} | {
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hubbardUValue?: number;
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}[];
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*/
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} | {
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targetFermiEnergy?: number;
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};
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*/
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} | {
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totalMagnetization: number;
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};
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*/
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};
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isEdited: boolean;
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} | {
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};
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/**
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*/
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})[];
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};
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name: "total_energy_contributions";
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units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
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} | {
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name: "formation_energy_contributions";
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values: {
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/**
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* formula or label for the material used in the formation energy calculation
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*/
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formula: string;
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/**
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* number of atoms in the material
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*/
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n_atoms: number;
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/**
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* whether the material is an elemental reference
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*/
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is_elemental: boolean;
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+
/**
|
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* total energy of the material
|
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+
*/
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total_energy: number;
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+
/**
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* total energy per atom of the material
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*/
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total_energy_per_atom: number;
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/**
|
|
56281
|
+
* precision value for the total energy property
|
|
56282
|
+
*/
|
|
56283
|
+
precision_value: number;
|
|
56284
|
+
/**
|
|
56285
|
+
* metric used to report total energy precision
|
|
56286
|
+
*/
|
|
56287
|
+
precision_metric: "unknown" | "KPPRA" | "spacing";
|
|
56288
|
+
}[];
|
|
56139
56289
|
} | {
|
|
56140
56290
|
xAxis: {
|
|
56141
56291
|
/**
|
|
@@ -57782,7 +57932,10 @@ export interface PropertyHolderSchema {
|
|
|
57782
57932
|
contextProviderName: "vasp-neb";
|
|
57783
57933
|
};
|
|
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57934
|
extraData: {
|
|
57785
|
-
|
|
57935
|
+
/**
|
|
57936
|
+
* UI only property used to track material change for re-render
|
|
57937
|
+
*/
|
|
57938
|
+
materialHash?: string;
|
|
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57939
|
};
|
|
57787
57940
|
isEdited: boolean;
|
|
57788
57941
|
} | {
|
|
@@ -57818,7 +57971,10 @@ export interface PropertyHolderSchema {
|
|
|
57818
57971
|
preferGridMetric?: boolean;
|
|
57819
57972
|
};
|
|
57820
57973
|
extraData: {
|
|
57821
|
-
|
|
57974
|
+
/**
|
|
57975
|
+
* UI only property used to track material change for re-render
|
|
57976
|
+
*/
|
|
57977
|
+
materialHash?: string;
|
|
57822
57978
|
};
|
|
57823
57979
|
isEdited: boolean;
|
|
57824
57980
|
} | {
|
|
@@ -57839,7 +57995,10 @@ export interface PropertyHolderSchema {
|
|
|
57839
57995
|
}[]
|
|
57840
57996
|
];
|
|
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57997
|
extraData: {
|
|
57842
|
-
|
|
57998
|
+
/**
|
|
57999
|
+
* UI only property used to track material change for re-render
|
|
58000
|
+
*/
|
|
58001
|
+
materialHash?: string;
|
|
57843
58002
|
};
|
|
57844
58003
|
isEdited: boolean;
|
|
57845
58004
|
} | {
|
|
@@ -57876,7 +58035,10 @@ export interface PropertyHolderSchema {
|
|
|
57876
58035
|
hubbardUValue?: number;
|
|
57877
58036
|
}[];
|
|
57878
58037
|
extraData: {
|
|
57879
|
-
|
|
58038
|
+
/**
|
|
58039
|
+
* UI only property used to track material change for re-render
|
|
58040
|
+
*/
|
|
58041
|
+
materialHash?: string;
|
|
57880
58042
|
};
|
|
57881
58043
|
isEdited: boolean;
|
|
57882
58044
|
} | {
|
|
@@ -57951,7 +58113,10 @@ export interface PropertyHolderSchema {
|
|
|
57951
58113
|
targetFermiEnergy?: number;
|
|
57952
58114
|
};
|
|
57953
58115
|
extraData: {
|
|
57954
|
-
|
|
58116
|
+
/**
|
|
58117
|
+
* UI only property used to track material change for re-render
|
|
58118
|
+
*/
|
|
58119
|
+
materialHash?: string;
|
|
57955
58120
|
};
|
|
57956
58121
|
isEdited: boolean;
|
|
57957
58122
|
} | {
|
|
@@ -58003,7 +58168,10 @@ export interface PropertyHolderSchema {
|
|
|
58003
58168
|
totalMagnetization: number;
|
|
58004
58169
|
};
|
|
58005
58170
|
extraData: {
|
|
58006
|
-
|
|
58171
|
+
/**
|
|
58172
|
+
* UI only property used to track material change for re-render
|
|
58173
|
+
*/
|
|
58174
|
+
materialHash?: string;
|
|
58007
58175
|
};
|
|
58008
58176
|
isEdited: boolean;
|
|
58009
58177
|
} | {
|
|
@@ -58041,7 +58209,10 @@ export interface PropertyHolderSchema {
|
|
|
58041
58209
|
};
|
|
58042
58210
|
};
|
|
58043
58211
|
extraData: {
|
|
58044
|
-
|
|
58212
|
+
/**
|
|
58213
|
+
* UI only property used to track material change for re-render
|
|
58214
|
+
*/
|
|
58215
|
+
materialHash?: string;
|
|
58045
58216
|
};
|
|
58046
58217
|
isEdited: boolean;
|
|
58047
58218
|
})[];
|
|
@@ -60542,7 +60713,10 @@ export interface ExecutionUnitSchemaForPhysicsBasedSimulationEnginesDefinedUsing
|
|
|
60542
60713
|
contextProviderName: "vasp-neb";
|
|
60543
60714
|
};
|
|
60544
60715
|
extraData: {
|
|
60545
|
-
|
|
60716
|
+
/**
|
|
60717
|
+
* UI only property used to track material change for re-render
|
|
60718
|
+
*/
|
|
60719
|
+
materialHash?: string;
|
|
60546
60720
|
};
|
|
60547
60721
|
isEdited: boolean;
|
|
60548
60722
|
} | {
|
|
@@ -60578,7 +60752,10 @@ export interface ExecutionUnitSchemaForPhysicsBasedSimulationEnginesDefinedUsing
|
|
|
60578
60752
|
preferGridMetric?: boolean;
|
|
60579
60753
|
};
|
|
60580
60754
|
extraData: {
|
|
60581
|
-
|
|
60755
|
+
/**
|
|
60756
|
+
* UI only property used to track material change for re-render
|
|
60757
|
+
*/
|
|
60758
|
+
materialHash?: string;
|
|
60582
60759
|
};
|
|
60583
60760
|
isEdited: boolean;
|
|
60584
60761
|
} | {
|
|
@@ -60599,7 +60776,10 @@ export interface ExecutionUnitSchemaForPhysicsBasedSimulationEnginesDefinedUsing
|
|
|
60599
60776
|
}[]
|
|
60600
60777
|
];
|
|
60601
60778
|
extraData: {
|
|
60602
|
-
|
|
60779
|
+
/**
|
|
60780
|
+
* UI only property used to track material change for re-render
|
|
60781
|
+
*/
|
|
60782
|
+
materialHash?: string;
|
|
60603
60783
|
};
|
|
60604
60784
|
isEdited: boolean;
|
|
60605
60785
|
} | {
|
|
@@ -60636,7 +60816,10 @@ export interface ExecutionUnitSchemaForPhysicsBasedSimulationEnginesDefinedUsing
|
|
|
60636
60816
|
hubbardUValue?: number;
|
|
60637
60817
|
}[];
|
|
60638
60818
|
extraData: {
|
|
60639
|
-
|
|
60819
|
+
/**
|
|
60820
|
+
* UI only property used to track material change for re-render
|
|
60821
|
+
*/
|
|
60822
|
+
materialHash?: string;
|
|
60640
60823
|
};
|
|
60641
60824
|
isEdited: boolean;
|
|
60642
60825
|
} | {
|
|
@@ -60711,7 +60894,10 @@ export interface ExecutionUnitSchemaForPhysicsBasedSimulationEnginesDefinedUsing
|
|
|
60711
60894
|
targetFermiEnergy?: number;
|
|
60712
60895
|
};
|
|
60713
60896
|
extraData: {
|
|
60714
|
-
|
|
60897
|
+
/**
|
|
60898
|
+
* UI only property used to track material change for re-render
|
|
60899
|
+
*/
|
|
60900
|
+
materialHash?: string;
|
|
60715
60901
|
};
|
|
60716
60902
|
isEdited: boolean;
|
|
60717
60903
|
} | {
|
|
@@ -60763,7 +60949,10 @@ export interface ExecutionUnitSchemaForPhysicsBasedSimulationEnginesDefinedUsing
|
|
|
60763
60949
|
totalMagnetization: number;
|
|
60764
60950
|
};
|
|
60765
60951
|
extraData: {
|
|
60766
|
-
|
|
60952
|
+
/**
|
|
60953
|
+
* UI only property used to track material change for re-render
|
|
60954
|
+
*/
|
|
60955
|
+
materialHash?: string;
|
|
60767
60956
|
};
|
|
60768
60957
|
isEdited: boolean;
|
|
60769
60958
|
} | {
|
|
@@ -60801,7 +60990,10 @@ export interface ExecutionUnitSchemaForPhysicsBasedSimulationEnginesDefinedUsing
|
|
|
60801
60990
|
};
|
|
60802
60991
|
};
|
|
60803
60992
|
extraData: {
|
|
60804
|
-
|
|
60993
|
+
/**
|
|
60994
|
+
* UI only property used to track material change for re-render
|
|
60995
|
+
*/
|
|
60996
|
+
materialHash?: string;
|
|
60805
60997
|
};
|
|
60806
60998
|
isEdited: boolean;
|
|
60807
60999
|
})[];
|
|
@@ -61759,7 +61951,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
|
|
|
61759
61951
|
contextProviderName: "vasp-neb";
|
|
61760
61952
|
};
|
|
61761
61953
|
extraData: {
|
|
61762
|
-
|
|
61954
|
+
/**
|
|
61955
|
+
* UI only property used to track material change for re-render
|
|
61956
|
+
*/
|
|
61957
|
+
materialHash?: string;
|
|
61763
61958
|
};
|
|
61764
61959
|
isEdited: boolean;
|
|
61765
61960
|
} | {
|
|
@@ -61795,7 +61990,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
|
|
|
61795
61990
|
preferGridMetric?: boolean;
|
|
61796
61991
|
};
|
|
61797
61992
|
extraData: {
|
|
61798
|
-
|
|
61993
|
+
/**
|
|
61994
|
+
* UI only property used to track material change for re-render
|
|
61995
|
+
*/
|
|
61996
|
+
materialHash?: string;
|
|
61799
61997
|
};
|
|
61800
61998
|
isEdited: boolean;
|
|
61801
61999
|
} | {
|
|
@@ -61816,7 +62014,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
|
|
|
61816
62014
|
}[]
|
|
61817
62015
|
];
|
|
61818
62016
|
extraData: {
|
|
61819
|
-
|
|
62017
|
+
/**
|
|
62018
|
+
* UI only property used to track material change for re-render
|
|
62019
|
+
*/
|
|
62020
|
+
materialHash?: string;
|
|
61820
62021
|
};
|
|
61821
62022
|
isEdited: boolean;
|
|
61822
62023
|
} | {
|
|
@@ -61853,7 +62054,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
|
|
|
61853
62054
|
hubbardUValue?: number;
|
|
61854
62055
|
}[];
|
|
61855
62056
|
extraData: {
|
|
61856
|
-
|
|
62057
|
+
/**
|
|
62058
|
+
* UI only property used to track material change for re-render
|
|
62059
|
+
*/
|
|
62060
|
+
materialHash?: string;
|
|
61857
62061
|
};
|
|
61858
62062
|
isEdited: boolean;
|
|
61859
62063
|
} | {
|
|
@@ -61928,7 +62132,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
|
|
|
61928
62132
|
targetFermiEnergy?: number;
|
|
61929
62133
|
};
|
|
61930
62134
|
extraData: {
|
|
61931
|
-
|
|
62135
|
+
/**
|
|
62136
|
+
* UI only property used to track material change for re-render
|
|
62137
|
+
*/
|
|
62138
|
+
materialHash?: string;
|
|
61932
62139
|
};
|
|
61933
62140
|
isEdited: boolean;
|
|
61934
62141
|
} | {
|
|
@@ -61980,7 +62187,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
|
|
|
61980
62187
|
totalMagnetization: number;
|
|
61981
62188
|
};
|
|
61982
62189
|
extraData: {
|
|
61983
|
-
|
|
62190
|
+
/**
|
|
62191
|
+
* UI only property used to track material change for re-render
|
|
62192
|
+
*/
|
|
62193
|
+
materialHash?: string;
|
|
61984
62194
|
};
|
|
61985
62195
|
isEdited: boolean;
|
|
61986
62196
|
} | {
|
|
@@ -62018,7 +62228,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
|
|
|
62018
62228
|
};
|
|
62019
62229
|
};
|
|
62020
62230
|
extraData: {
|
|
62021
|
-
|
|
62231
|
+
/**
|
|
62232
|
+
* UI only property used to track material change for re-render
|
|
62233
|
+
*/
|
|
62234
|
+
materialHash?: string;
|
|
62022
62235
|
};
|
|
62023
62236
|
isEdited: boolean;
|
|
62024
62237
|
})[];
|
|
@@ -63714,7 +63927,10 @@ export interface BaseWorkflowSchema {
|
|
|
63714
63927
|
contextProviderName: "vasp-neb";
|
|
63715
63928
|
};
|
|
63716
63929
|
extraData: {
|
|
63717
|
-
|
|
63930
|
+
/**
|
|
63931
|
+
* UI only property used to track material change for re-render
|
|
63932
|
+
*/
|
|
63933
|
+
materialHash?: string;
|
|
63718
63934
|
};
|
|
63719
63935
|
isEdited: boolean;
|
|
63720
63936
|
} | {
|
|
@@ -63750,7 +63966,10 @@ export interface BaseWorkflowSchema {
|
|
|
63750
63966
|
preferGridMetric?: boolean;
|
|
63751
63967
|
};
|
|
63752
63968
|
extraData: {
|
|
63753
|
-
|
|
63969
|
+
/**
|
|
63970
|
+
* UI only property used to track material change for re-render
|
|
63971
|
+
*/
|
|
63972
|
+
materialHash?: string;
|
|
63754
63973
|
};
|
|
63755
63974
|
isEdited: boolean;
|
|
63756
63975
|
} | {
|
|
@@ -63771,7 +63990,10 @@ export interface BaseWorkflowSchema {
|
|
|
63771
63990
|
}[]
|
|
63772
63991
|
];
|
|
63773
63992
|
extraData: {
|
|
63774
|
-
|
|
63993
|
+
/**
|
|
63994
|
+
* UI only property used to track material change for re-render
|
|
63995
|
+
*/
|
|
63996
|
+
materialHash?: string;
|
|
63775
63997
|
};
|
|
63776
63998
|
isEdited: boolean;
|
|
63777
63999
|
} | {
|
|
@@ -63808,7 +64030,10 @@ export interface BaseWorkflowSchema {
|
|
|
63808
64030
|
hubbardUValue?: number;
|
|
63809
64031
|
}[];
|
|
63810
64032
|
extraData: {
|
|
63811
|
-
|
|
64033
|
+
/**
|
|
64034
|
+
* UI only property used to track material change for re-render
|
|
64035
|
+
*/
|
|
64036
|
+
materialHash?: string;
|
|
63812
64037
|
};
|
|
63813
64038
|
isEdited: boolean;
|
|
63814
64039
|
} | {
|
|
@@ -63883,7 +64108,10 @@ export interface BaseWorkflowSchema {
|
|
|
63883
64108
|
targetFermiEnergy?: number;
|
|
63884
64109
|
};
|
|
63885
64110
|
extraData: {
|
|
63886
|
-
|
|
64111
|
+
/**
|
|
64112
|
+
* UI only property used to track material change for re-render
|
|
64113
|
+
*/
|
|
64114
|
+
materialHash?: string;
|
|
63887
64115
|
};
|
|
63888
64116
|
isEdited: boolean;
|
|
63889
64117
|
} | {
|
|
@@ -63935,7 +64163,10 @@ export interface BaseWorkflowSchema {
|
|
|
63935
64163
|
totalMagnetization: number;
|
|
63936
64164
|
};
|
|
63937
64165
|
extraData: {
|
|
63938
|
-
|
|
64166
|
+
/**
|
|
64167
|
+
* UI only property used to track material change for re-render
|
|
64168
|
+
*/
|
|
64169
|
+
materialHash?: string;
|
|
63939
64170
|
};
|
|
63940
64171
|
isEdited: boolean;
|
|
63941
64172
|
} | {
|
|
@@ -63973,7 +64204,10 @@ export interface BaseWorkflowSchema {
|
|
|
63973
64204
|
};
|
|
63974
64205
|
};
|
|
63975
64206
|
extraData: {
|
|
63976
|
-
|
|
64207
|
+
/**
|
|
64208
|
+
* UI only property used to track material change for re-render
|
|
64209
|
+
*/
|
|
64210
|
+
materialHash?: string;
|
|
63977
64211
|
};
|
|
63978
64212
|
isEdited: boolean;
|
|
63979
64213
|
})[];
|
|
@@ -65928,7 +66162,10 @@ export interface SubworkflowMixinSchema {
|
|
|
65928
66162
|
contextProviderName: "vasp-neb";
|
|
65929
66163
|
};
|
|
65930
66164
|
extraData: {
|
|
65931
|
-
|
|
66165
|
+
/**
|
|
66166
|
+
* UI only property used to track material change for re-render
|
|
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|
+
*/
|
|
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|
+
materialHash?: string;
|
|
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66169
|
};
|
|
65933
66170
|
isEdited: boolean;
|
|
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66171
|
} | {
|
|
@@ -65964,7 +66201,10 @@ export interface SubworkflowMixinSchema {
|
|
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65964
66201
|
preferGridMetric?: boolean;
|
|
65965
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|
};
|
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|
extraData: {
|
|
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|
-
|
|
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|
+
/**
|
|
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|
+
* UI only property used to track material change for re-render
|
|
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|
+
*/
|
|
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|
+
materialHash?: string;
|
|
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66208
|
};
|
|
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66209
|
isEdited: boolean;
|
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|
} | {
|
|
@@ -65985,7 +66225,10 @@ export interface SubworkflowMixinSchema {
|
|
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66225
|
}[]
|
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65986
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|
];
|
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|
extraData: {
|
|
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|
-
|
|
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|
+
/**
|
|
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|
+
* UI only property used to track material change for re-render
|
|
66230
|
+
*/
|
|
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|
+
materialHash?: string;
|
|
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66232
|
};
|
|
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|
isEdited: boolean;
|
|
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66234
|
} | {
|
|
@@ -66022,7 +66265,10 @@ export interface SubworkflowMixinSchema {
|
|
|
66022
66265
|
hubbardUValue?: number;
|
|
66023
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|
}[];
|
|
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|
extraData: {
|
|
66025
|
-
|
|
66268
|
+
/**
|
|
66269
|
+
* UI only property used to track material change for re-render
|
|
66270
|
+
*/
|
|
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|
+
materialHash?: string;
|
|
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66272
|
};
|
|
66027
66273
|
isEdited: boolean;
|
|
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66274
|
} | {
|
|
@@ -66097,7 +66343,10 @@ export interface SubworkflowMixinSchema {
|
|
|
66097
66343
|
targetFermiEnergy?: number;
|
|
66098
66344
|
};
|
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|
extraData: {
|
|
66100
|
-
|
|
66346
|
+
/**
|
|
66347
|
+
* UI only property used to track material change for re-render
|
|
66348
|
+
*/
|
|
66349
|
+
materialHash?: string;
|
|
66101
66350
|
};
|
|
66102
66351
|
isEdited: boolean;
|
|
66103
66352
|
} | {
|
|
@@ -66149,7 +66398,10 @@ export interface SubworkflowMixinSchema {
|
|
|
66149
66398
|
totalMagnetization: number;
|
|
66150
66399
|
};
|
|
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66400
|
extraData: {
|
|
66152
|
-
|
|
66401
|
+
/**
|
|
66402
|
+
* UI only property used to track material change for re-render
|
|
66403
|
+
*/
|
|
66404
|
+
materialHash?: string;
|
|
66153
66405
|
};
|
|
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66406
|
isEdited: boolean;
|
|
66155
66407
|
} | {
|
|
@@ -66187,7 +66439,10 @@ export interface SubworkflowMixinSchema {
|
|
|
66187
66439
|
};
|
|
66188
66440
|
};
|
|
66189
66441
|
extraData: {
|
|
66190
|
-
|
|
66442
|
+
/**
|
|
66443
|
+
* UI only property used to track material change for re-render
|
|
66444
|
+
*/
|
|
66445
|
+
materialHash?: string;
|
|
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66446
|
};
|
|
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66447
|
isEdited: boolean;
|
|
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66448
|
})[];
|
|
@@ -67540,7 +67795,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67540
67795
|
contextProviderName: "vasp-neb";
|
|
67541
67796
|
};
|
|
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67797
|
extraData: {
|
|
67543
|
-
|
|
67798
|
+
/**
|
|
67799
|
+
* UI only property used to track material change for re-render
|
|
67800
|
+
*/
|
|
67801
|
+
materialHash?: string;
|
|
67544
67802
|
};
|
|
67545
67803
|
isEdited: boolean;
|
|
67546
67804
|
} | {
|
|
@@ -67576,7 +67834,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67576
67834
|
preferGridMetric?: boolean;
|
|
67577
67835
|
};
|
|
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67836
|
extraData: {
|
|
67579
|
-
|
|
67837
|
+
/**
|
|
67838
|
+
* UI only property used to track material change for re-render
|
|
67839
|
+
*/
|
|
67840
|
+
materialHash?: string;
|
|
67580
67841
|
};
|
|
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67842
|
isEdited: boolean;
|
|
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67843
|
} | {
|
|
@@ -67597,7 +67858,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67597
67858
|
}[]
|
|
67598
67859
|
];
|
|
67599
67860
|
extraData: {
|
|
67600
|
-
|
|
67861
|
+
/**
|
|
67862
|
+
* UI only property used to track material change for re-render
|
|
67863
|
+
*/
|
|
67864
|
+
materialHash?: string;
|
|
67601
67865
|
};
|
|
67602
67866
|
isEdited: boolean;
|
|
67603
67867
|
} | {
|
|
@@ -67634,7 +67898,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67634
67898
|
hubbardUValue?: number;
|
|
67635
67899
|
}[];
|
|
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67900
|
extraData: {
|
|
67637
|
-
|
|
67901
|
+
/**
|
|
67902
|
+
* UI only property used to track material change for re-render
|
|
67903
|
+
*/
|
|
67904
|
+
materialHash?: string;
|
|
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67905
|
};
|
|
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67906
|
isEdited: boolean;
|
|
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67907
|
} | {
|
|
@@ -67709,7 +67976,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67709
67976
|
targetFermiEnergy?: number;
|
|
67710
67977
|
};
|
|
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67978
|
extraData: {
|
|
67712
|
-
|
|
67979
|
+
/**
|
|
67980
|
+
* UI only property used to track material change for re-render
|
|
67981
|
+
*/
|
|
67982
|
+
materialHash?: string;
|
|
67713
67983
|
};
|
|
67714
67984
|
isEdited: boolean;
|
|
67715
67985
|
} | {
|
|
@@ -67761,7 +68031,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67761
68031
|
totalMagnetization: number;
|
|
67762
68032
|
};
|
|
67763
68033
|
extraData: {
|
|
67764
|
-
|
|
68034
|
+
/**
|
|
68035
|
+
* UI only property used to track material change for re-render
|
|
68036
|
+
*/
|
|
68037
|
+
materialHash?: string;
|
|
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68038
|
};
|
|
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68039
|
isEdited: boolean;
|
|
67767
68040
|
} | {
|
|
@@ -67799,7 +68072,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67799
68072
|
};
|
|
67800
68073
|
};
|
|
67801
68074
|
extraData: {
|
|
67802
|
-
|
|
68075
|
+
/**
|
|
68076
|
+
* UI only property used to track material change for re-render
|
|
68077
|
+
*/
|
|
68078
|
+
materialHash?: string;
|
|
67803
68079
|
};
|
|
67804
68080
|
isEdited: boolean;
|
|
67805
68081
|
})[];
|
|
@@ -69083,7 +69359,10 @@ export interface SubworkflowSchema {
|
|
|
69083
69359
|
contextProviderName: "vasp-neb";
|
|
69084
69360
|
};
|
|
69085
69361
|
extraData: {
|
|
69086
|
-
|
|
69362
|
+
/**
|
|
69363
|
+
* UI only property used to track material change for re-render
|
|
69364
|
+
*/
|
|
69365
|
+
materialHash?: string;
|
|
69087
69366
|
};
|
|
69088
69367
|
isEdited: boolean;
|
|
69089
69368
|
} | {
|
|
@@ -69119,7 +69398,10 @@ export interface SubworkflowSchema {
|
|
|
69119
69398
|
preferGridMetric?: boolean;
|
|
69120
69399
|
};
|
|
69121
69400
|
extraData: {
|
|
69122
|
-
|
|
69401
|
+
/**
|
|
69402
|
+
* UI only property used to track material change for re-render
|
|
69403
|
+
*/
|
|
69404
|
+
materialHash?: string;
|
|
69123
69405
|
};
|
|
69124
69406
|
isEdited: boolean;
|
|
69125
69407
|
} | {
|
|
@@ -69140,7 +69422,10 @@ export interface SubworkflowSchema {
|
|
|
69140
69422
|
}[]
|
|
69141
69423
|
];
|
|
69142
69424
|
extraData: {
|
|
69143
|
-
|
|
69425
|
+
/**
|
|
69426
|
+
* UI only property used to track material change for re-render
|
|
69427
|
+
*/
|
|
69428
|
+
materialHash?: string;
|
|
69144
69429
|
};
|
|
69145
69430
|
isEdited: boolean;
|
|
69146
69431
|
} | {
|
|
@@ -69177,7 +69462,10 @@ export interface SubworkflowSchema {
|
|
|
69177
69462
|
hubbardUValue?: number;
|
|
69178
69463
|
}[];
|
|
69179
69464
|
extraData: {
|
|
69180
|
-
|
|
69465
|
+
/**
|
|
69466
|
+
* UI only property used to track material change for re-render
|
|
69467
|
+
*/
|
|
69468
|
+
materialHash?: string;
|
|
69181
69469
|
};
|
|
69182
69470
|
isEdited: boolean;
|
|
69183
69471
|
} | {
|
|
@@ -69252,7 +69540,10 @@ export interface SubworkflowSchema {
|
|
|
69252
69540
|
targetFermiEnergy?: number;
|
|
69253
69541
|
};
|
|
69254
69542
|
extraData: {
|
|
69255
|
-
|
|
69543
|
+
/**
|
|
69544
|
+
* UI only property used to track material change for re-render
|
|
69545
|
+
*/
|
|
69546
|
+
materialHash?: string;
|
|
69256
69547
|
};
|
|
69257
69548
|
isEdited: boolean;
|
|
69258
69549
|
} | {
|
|
@@ -69304,7 +69595,10 @@ export interface SubworkflowSchema {
|
|
|
69304
69595
|
totalMagnetization: number;
|
|
69305
69596
|
};
|
|
69306
69597
|
extraData: {
|
|
69307
|
-
|
|
69598
|
+
/**
|
|
69599
|
+
* UI only property used to track material change for re-render
|
|
69600
|
+
*/
|
|
69601
|
+
materialHash?: string;
|
|
69308
69602
|
};
|
|
69309
69603
|
isEdited: boolean;
|
|
69310
69604
|
} | {
|
|
@@ -69342,7 +69636,10 @@ export interface SubworkflowSchema {
|
|
|
69342
69636
|
};
|
|
69343
69637
|
};
|
|
69344
69638
|
extraData: {
|
|
69345
|
-
|
|
69639
|
+
/**
|
|
69640
|
+
* UI only property used to track material change for re-render
|
|
69641
|
+
*/
|
|
69642
|
+
materialHash?: string;
|
|
69346
69643
|
};
|
|
69347
69644
|
isEdited: boolean;
|
|
69348
69645
|
})[];
|
|
@@ -70125,7 +70422,10 @@ export interface BaseContextItemSchema {
|
|
|
70125
70422
|
}
|
|
70126
70423
|
/** Schema dist/js/schema/workflow/unit/context/_extra_data_material_hash.json */
|
|
70127
70424
|
export interface ExtraDataWithMaterialHashSchema {
|
|
70128
|
-
|
|
70425
|
+
/**
|
|
70426
|
+
* UI only property used to track material change for re-render
|
|
70427
|
+
*/
|
|
70428
|
+
materialHash?: string;
|
|
70129
70429
|
}
|
|
70130
70430
|
/** Schema dist/js/schema/workflow/unit/context/item/boundaryConditions.json */
|
|
70131
70431
|
export interface BoundaryConditionsContextItemSchema {
|
|
@@ -70140,7 +70440,10 @@ export interface BoundaryConditionsContextItemSchema {
|
|
|
70140
70440
|
targetFermiEnergy?: number;
|
|
70141
70441
|
};
|
|
70142
70442
|
extraData: {
|
|
70143
|
-
|
|
70443
|
+
/**
|
|
70444
|
+
* UI only property used to track material change for re-render
|
|
70445
|
+
*/
|
|
70446
|
+
materialHash?: string;
|
|
70144
70447
|
};
|
|
70145
70448
|
isEdited: boolean;
|
|
70146
70449
|
}
|
|
@@ -70160,7 +70463,10 @@ export interface CollinearMagnetizationContextItemSchema {
|
|
|
70160
70463
|
totalMagnetization: number;
|
|
70161
70464
|
};
|
|
70162
70465
|
extraData: {
|
|
70163
|
-
|
|
70466
|
+
/**
|
|
70467
|
+
* UI only property used to track material change for re-render
|
|
70468
|
+
*/
|
|
70469
|
+
materialHash?: string;
|
|
70164
70470
|
};
|
|
70165
70471
|
isEdited: boolean;
|
|
70166
70472
|
}
|
|
@@ -70215,7 +70521,10 @@ export interface GridContextItemSchema {
|
|
|
70215
70521
|
preferGridMetric?: boolean;
|
|
70216
70522
|
};
|
|
70217
70523
|
extraData: {
|
|
70218
|
-
|
|
70524
|
+
/**
|
|
70525
|
+
* UI only property used to track material change for re-render
|
|
70526
|
+
*/
|
|
70527
|
+
materialHash?: string;
|
|
70219
70528
|
};
|
|
70220
70529
|
isEdited: boolean;
|
|
70221
70530
|
}
|
|
@@ -70279,7 +70588,10 @@ export interface HubbardUContextItemSchema {
|
|
|
70279
70588
|
hubbardUValue?: number;
|
|
70280
70589
|
}[];
|
|
70281
70590
|
extraData: {
|
|
70282
|
-
|
|
70591
|
+
/**
|
|
70592
|
+
* UI only property used to track material change for re-render
|
|
70593
|
+
*/
|
|
70594
|
+
materialHash?: string;
|
|
70283
70595
|
};
|
|
70284
70596
|
isEdited: boolean;
|
|
70285
70597
|
}
|
|
@@ -70638,7 +70950,10 @@ export interface InputContextItemSchema {
|
|
|
70638
70950
|
contextProviderName: "vasp-neb";
|
|
70639
70951
|
};
|
|
70640
70952
|
extraData: {
|
|
70641
|
-
|
|
70953
|
+
/**
|
|
70954
|
+
* UI only property used to track material change for re-render
|
|
70955
|
+
*/
|
|
70956
|
+
materialHash?: string;
|
|
70642
70957
|
};
|
|
70643
70958
|
isEdited: boolean;
|
|
70644
70959
|
}
|
|
@@ -70715,7 +71030,10 @@ export interface NonCollinearMagnetizationContextItemSchema {
|
|
|
70715
71030
|
};
|
|
70716
71031
|
};
|
|
70717
71032
|
extraData: {
|
|
70718
|
-
|
|
71033
|
+
/**
|
|
71034
|
+
* UI only property used to track material change for re-render
|
|
71035
|
+
*/
|
|
71036
|
+
materialHash?: string;
|
|
70719
71037
|
};
|
|
70720
71038
|
isEdited: boolean;
|
|
70721
71039
|
}
|
|
@@ -70738,7 +71056,10 @@ export interface PathContextItemSchema {
|
|
|
70738
71056
|
}[]
|
|
70739
71057
|
];
|
|
70740
71058
|
extraData: {
|
|
70741
|
-
|
|
71059
|
+
/**
|
|
71060
|
+
* UI only property used to track material change for re-render
|
|
71061
|
+
*/
|
|
71062
|
+
materialHash?: string;
|
|
70742
71063
|
};
|
|
70743
71064
|
isEdited: boolean;
|
|
70744
71065
|
}
|
|
@@ -71066,7 +71387,10 @@ export type ContextItemSchema = {
|
|
|
71066
71387
|
contextProviderName: "vasp-neb";
|
|
71067
71388
|
};
|
|
71068
71389
|
extraData: {
|
|
71069
|
-
|
|
71390
|
+
/**
|
|
71391
|
+
* UI only property used to track material change for re-render
|
|
71392
|
+
*/
|
|
71393
|
+
materialHash?: string;
|
|
71070
71394
|
};
|
|
71071
71395
|
isEdited: boolean;
|
|
71072
71396
|
} | {
|
|
@@ -71102,7 +71426,10 @@ export type ContextItemSchema = {
|
|
|
71102
71426
|
preferGridMetric?: boolean;
|
|
71103
71427
|
};
|
|
71104
71428
|
extraData: {
|
|
71105
|
-
|
|
71429
|
+
/**
|
|
71430
|
+
* UI only property used to track material change for re-render
|
|
71431
|
+
*/
|
|
71432
|
+
materialHash?: string;
|
|
71106
71433
|
};
|
|
71107
71434
|
isEdited: boolean;
|
|
71108
71435
|
} | {
|
|
@@ -71123,7 +71450,10 @@ export type ContextItemSchema = {
|
|
|
71123
71450
|
}[]
|
|
71124
71451
|
];
|
|
71125
71452
|
extraData: {
|
|
71126
|
-
|
|
71453
|
+
/**
|
|
71454
|
+
* UI only property used to track material change for re-render
|
|
71455
|
+
*/
|
|
71456
|
+
materialHash?: string;
|
|
71127
71457
|
};
|
|
71128
71458
|
isEdited: boolean;
|
|
71129
71459
|
} | {
|
|
@@ -71160,7 +71490,10 @@ export type ContextItemSchema = {
|
|
|
71160
71490
|
hubbardUValue?: number;
|
|
71161
71491
|
}[];
|
|
71162
71492
|
extraData: {
|
|
71163
|
-
|
|
71493
|
+
/**
|
|
71494
|
+
* UI only property used to track material change for re-render
|
|
71495
|
+
*/
|
|
71496
|
+
materialHash?: string;
|
|
71164
71497
|
};
|
|
71165
71498
|
isEdited: boolean;
|
|
71166
71499
|
} | {
|
|
@@ -71235,7 +71568,10 @@ export type ContextItemSchema = {
|
|
|
71235
71568
|
targetFermiEnergy?: number;
|
|
71236
71569
|
};
|
|
71237
71570
|
extraData: {
|
|
71238
|
-
|
|
71571
|
+
/**
|
|
71572
|
+
* UI only property used to track material change for re-render
|
|
71573
|
+
*/
|
|
71574
|
+
materialHash?: string;
|
|
71239
71575
|
};
|
|
71240
71576
|
isEdited: boolean;
|
|
71241
71577
|
} | {
|
|
@@ -71287,7 +71623,10 @@ export type ContextItemSchema = {
|
|
|
71287
71623
|
totalMagnetization: number;
|
|
71288
71624
|
};
|
|
71289
71625
|
extraData: {
|
|
71290
|
-
|
|
71626
|
+
/**
|
|
71627
|
+
* UI only property used to track material change for re-render
|
|
71628
|
+
*/
|
|
71629
|
+
materialHash?: string;
|
|
71291
71630
|
};
|
|
71292
71631
|
isEdited: boolean;
|
|
71293
71632
|
} | {
|
|
@@ -71325,7 +71664,10 @@ export type ContextItemSchema = {
|
|
|
71325
71664
|
};
|
|
71326
71665
|
};
|
|
71327
71666
|
extraData: {
|
|
71328
|
-
|
|
71667
|
+
/**
|
|
71668
|
+
* UI only property used to track material change for re-render
|
|
71669
|
+
*/
|
|
71670
|
+
materialHash?: string;
|
|
71329
71671
|
};
|
|
71330
71672
|
isEdited: boolean;
|
|
71331
71673
|
};
|
|
@@ -71971,7 +72313,10 @@ export interface ExecutionUnitSchema {
|
|
|
71971
72313
|
contextProviderName: "vasp-neb";
|
|
71972
72314
|
};
|
|
71973
72315
|
extraData: {
|
|
71974
|
-
|
|
72316
|
+
/**
|
|
72317
|
+
* UI only property used to track material change for re-render
|
|
72318
|
+
*/
|
|
72319
|
+
materialHash?: string;
|
|
71975
72320
|
};
|
|
71976
72321
|
isEdited: boolean;
|
|
71977
72322
|
} | {
|
|
@@ -72007,7 +72352,10 @@ export interface ExecutionUnitSchema {
|
|
|
72007
72352
|
preferGridMetric?: boolean;
|
|
72008
72353
|
};
|
|
72009
72354
|
extraData: {
|
|
72010
|
-
|
|
72355
|
+
/**
|
|
72356
|
+
* UI only property used to track material change for re-render
|
|
72357
|
+
*/
|
|
72358
|
+
materialHash?: string;
|
|
72011
72359
|
};
|
|
72012
72360
|
isEdited: boolean;
|
|
72013
72361
|
} | {
|
|
@@ -72028,7 +72376,10 @@ export interface ExecutionUnitSchema {
|
|
|
72028
72376
|
}[]
|
|
72029
72377
|
];
|
|
72030
72378
|
extraData: {
|
|
72031
|
-
|
|
72379
|
+
/**
|
|
72380
|
+
* UI only property used to track material change for re-render
|
|
72381
|
+
*/
|
|
72382
|
+
materialHash?: string;
|
|
72032
72383
|
};
|
|
72033
72384
|
isEdited: boolean;
|
|
72034
72385
|
} | {
|
|
@@ -72065,7 +72416,10 @@ export interface ExecutionUnitSchema {
|
|
|
72065
72416
|
hubbardUValue?: number;
|
|
72066
72417
|
}[];
|
|
72067
72418
|
extraData: {
|
|
72068
|
-
|
|
72419
|
+
/**
|
|
72420
|
+
* UI only property used to track material change for re-render
|
|
72421
|
+
*/
|
|
72422
|
+
materialHash?: string;
|
|
72069
72423
|
};
|
|
72070
72424
|
isEdited: boolean;
|
|
72071
72425
|
} | {
|
|
@@ -72140,7 +72494,10 @@ export interface ExecutionUnitSchema {
|
|
|
72140
72494
|
targetFermiEnergy?: number;
|
|
72141
72495
|
};
|
|
72142
72496
|
extraData: {
|
|
72143
|
-
|
|
72497
|
+
/**
|
|
72498
|
+
* UI only property used to track material change for re-render
|
|
72499
|
+
*/
|
|
72500
|
+
materialHash?: string;
|
|
72144
72501
|
};
|
|
72145
72502
|
isEdited: boolean;
|
|
72146
72503
|
} | {
|
|
@@ -72192,7 +72549,10 @@ export interface ExecutionUnitSchema {
|
|
|
72192
72549
|
totalMagnetization: number;
|
|
72193
72550
|
};
|
|
72194
72551
|
extraData: {
|
|
72195
|
-
|
|
72552
|
+
/**
|
|
72553
|
+
* UI only property used to track material change for re-render
|
|
72554
|
+
*/
|
|
72555
|
+
materialHash?: string;
|
|
72196
72556
|
};
|
|
72197
72557
|
isEdited: boolean;
|
|
72198
72558
|
} | {
|
|
@@ -72230,7 +72590,10 @@ export interface ExecutionUnitSchema {
|
|
|
72230
72590
|
};
|
|
72231
72591
|
};
|
|
72232
72592
|
extraData: {
|
|
72233
|
-
|
|
72593
|
+
/**
|
|
72594
|
+
* UI only property used to track material change for re-render
|
|
72595
|
+
*/
|
|
72596
|
+
materialHash?: string;
|
|
72234
72597
|
};
|
|
72235
72598
|
isEdited: boolean;
|
|
72236
72599
|
})[];
|
|
@@ -73369,7 +73732,10 @@ export interface ExecutionUnitMixinSchema {
|
|
|
73369
73732
|
contextProviderName: "vasp-neb";
|
|
73370
73733
|
};
|
|
73371
73734
|
extraData: {
|
|
73372
|
-
|
|
73735
|
+
/**
|
|
73736
|
+
* UI only property used to track material change for re-render
|
|
73737
|
+
*/
|
|
73738
|
+
materialHash?: string;
|
|
73373
73739
|
};
|
|
73374
73740
|
isEdited: boolean;
|
|
73375
73741
|
} | {
|
|
@@ -73405,7 +73771,10 @@ export interface ExecutionUnitMixinSchema {
|
|
|
73405
73771
|
preferGridMetric?: boolean;
|
|
73406
73772
|
};
|
|
73407
73773
|
extraData: {
|
|
73408
|
-
|
|
73774
|
+
/**
|
|
73775
|
+
* UI only property used to track material change for re-render
|
|
73776
|
+
*/
|
|
73777
|
+
materialHash?: string;
|
|
73409
73778
|
};
|
|
73410
73779
|
isEdited: boolean;
|
|
73411
73780
|
} | {
|
|
@@ -73426,7 +73795,10 @@ export interface ExecutionUnitMixinSchema {
|
|
|
73426
73795
|
}[]
|
|
73427
73796
|
];
|
|
73428
73797
|
extraData: {
|
|
73429
|
-
|
|
73798
|
+
/**
|
|
73799
|
+
* UI only property used to track material change for re-render
|
|
73800
|
+
*/
|
|
73801
|
+
materialHash?: string;
|
|
73430
73802
|
};
|
|
73431
73803
|
isEdited: boolean;
|
|
73432
73804
|
} | {
|
|
@@ -73463,7 +73835,10 @@ export interface ExecutionUnitMixinSchema {
|
|
|
73463
73835
|
hubbardUValue?: number;
|
|
73464
73836
|
}[];
|
|
73465
73837
|
extraData: {
|
|
73466
|
-
|
|
73838
|
+
/**
|
|
73839
|
+
* UI only property used to track material change for re-render
|
|
73840
|
+
*/
|
|
73841
|
+
materialHash?: string;
|
|
73467
73842
|
};
|
|
73468
73843
|
isEdited: boolean;
|
|
73469
73844
|
} | {
|
|
@@ -73538,7 +73913,10 @@ export interface ExecutionUnitMixinSchema {
|
|
|
73538
73913
|
targetFermiEnergy?: number;
|
|
73539
73914
|
};
|
|
73540
73915
|
extraData: {
|
|
73541
|
-
|
|
73916
|
+
/**
|
|
73917
|
+
* UI only property used to track material change for re-render
|
|
73918
|
+
*/
|
|
73919
|
+
materialHash?: string;
|
|
73542
73920
|
};
|
|
73543
73921
|
isEdited: boolean;
|
|
73544
73922
|
} | {
|
|
@@ -73590,7 +73968,10 @@ export interface ExecutionUnitMixinSchema {
|
|
|
73590
73968
|
totalMagnetization: number;
|
|
73591
73969
|
};
|
|
73592
73970
|
extraData: {
|
|
73593
|
-
|
|
73971
|
+
/**
|
|
73972
|
+
* UI only property used to track material change for re-render
|
|
73973
|
+
*/
|
|
73974
|
+
materialHash?: string;
|
|
73594
73975
|
};
|
|
73595
73976
|
isEdited: boolean;
|
|
73596
73977
|
} | {
|
|
@@ -73628,7 +74009,10 @@ export interface ExecutionUnitMixinSchema {
|
|
|
73628
74009
|
};
|
|
73629
74010
|
};
|
|
73630
74011
|
extraData: {
|
|
73631
|
-
|
|
74012
|
+
/**
|
|
74013
|
+
* UI only property used to track material change for re-render
|
|
74014
|
+
*/
|
|
74015
|
+
materialHash?: string;
|
|
73632
74016
|
};
|
|
73633
74017
|
isEdited: boolean;
|
|
73634
74018
|
})[];
|
|
@@ -75691,7 +76075,10 @@ export interface WorkflowSchema {
|
|
|
75691
76075
|
contextProviderName: "vasp-neb";
|
|
75692
76076
|
};
|
|
75693
76077
|
extraData: {
|
|
75694
|
-
|
|
76078
|
+
/**
|
|
76079
|
+
* UI only property used to track material change for re-render
|
|
76080
|
+
*/
|
|
76081
|
+
materialHash?: string;
|
|
75695
76082
|
};
|
|
75696
76083
|
isEdited: boolean;
|
|
75697
76084
|
} | {
|
|
@@ -75727,7 +76114,10 @@ export interface WorkflowSchema {
|
|
|
75727
76114
|
preferGridMetric?: boolean;
|
|
75728
76115
|
};
|
|
75729
76116
|
extraData: {
|
|
75730
|
-
|
|
76117
|
+
/**
|
|
76118
|
+
* UI only property used to track material change for re-render
|
|
76119
|
+
*/
|
|
76120
|
+
materialHash?: string;
|
|
75731
76121
|
};
|
|
75732
76122
|
isEdited: boolean;
|
|
75733
76123
|
} | {
|
|
@@ -75748,7 +76138,10 @@ export interface WorkflowSchema {
|
|
|
75748
76138
|
}[]
|
|
75749
76139
|
];
|
|
75750
76140
|
extraData: {
|
|
75751
|
-
|
|
76141
|
+
/**
|
|
76142
|
+
* UI only property used to track material change for re-render
|
|
76143
|
+
*/
|
|
76144
|
+
materialHash?: string;
|
|
75752
76145
|
};
|
|
75753
76146
|
isEdited: boolean;
|
|
75754
76147
|
} | {
|
|
@@ -75785,7 +76178,10 @@ export interface WorkflowSchema {
|
|
|
75785
76178
|
hubbardUValue?: number;
|
|
75786
76179
|
}[];
|
|
75787
76180
|
extraData: {
|
|
75788
|
-
|
|
76181
|
+
/**
|
|
76182
|
+
* UI only property used to track material change for re-render
|
|
76183
|
+
*/
|
|
76184
|
+
materialHash?: string;
|
|
75789
76185
|
};
|
|
75790
76186
|
isEdited: boolean;
|
|
75791
76187
|
} | {
|
|
@@ -75860,7 +76256,10 @@ export interface WorkflowSchema {
|
|
|
75860
76256
|
targetFermiEnergy?: number;
|
|
75861
76257
|
};
|
|
75862
76258
|
extraData: {
|
|
75863
|
-
|
|
76259
|
+
/**
|
|
76260
|
+
* UI only property used to track material change for re-render
|
|
76261
|
+
*/
|
|
76262
|
+
materialHash?: string;
|
|
75864
76263
|
};
|
|
75865
76264
|
isEdited: boolean;
|
|
75866
76265
|
} | {
|
|
@@ -75912,7 +76311,10 @@ export interface WorkflowSchema {
|
|
|
75912
76311
|
totalMagnetization: number;
|
|
75913
76312
|
};
|
|
75914
76313
|
extraData: {
|
|
75915
|
-
|
|
76314
|
+
/**
|
|
76315
|
+
* UI only property used to track material change for re-render
|
|
76316
|
+
*/
|
|
76317
|
+
materialHash?: string;
|
|
75916
76318
|
};
|
|
75917
76319
|
isEdited: boolean;
|
|
75918
76320
|
} | {
|
|
@@ -75950,7 +76352,10 @@ export interface WorkflowSchema {
|
|
|
75950
76352
|
};
|
|
75951
76353
|
};
|
|
75952
76354
|
extraData: {
|
|
75953
|
-
|
|
76355
|
+
/**
|
|
76356
|
+
* UI only property used to track material change for re-render
|
|
76357
|
+
*/
|
|
76358
|
+
materialHash?: string;
|
|
75954
76359
|
};
|
|
75955
76360
|
isEdited: boolean;
|
|
75956
76361
|
})[];
|