@mat3ra/esse 2026.5.28-0 → 2026.6.5-0
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/JSONSchemasInterface.js +1 -1
- package/dist/js/esse/JSONSchemasInterfaceServer.js +2 -3
- package/dist/js/esse/schemaUtils.js +1 -2
- package/dist/js/esse/server/utils.js +2 -3
- package/dist/js/esse/utils.js +2 -3
- package/dist/js/schema/job.json +15 -28
- package/dist/js/schema/properties_directory/enum_options.json +1 -0
- package/dist/js/schema/properties_directory/non_scalar/workflow.json +15 -28
- package/dist/js/schema/property/holder.json +57 -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/scripts/compileTs.js +1 -1
- package/dist/js/scripts/setSchemaIds.js +1 -1
- package/dist/js/types.d.ts +401 -100
- package/dist/js/types.js +5 -5
- package/dist/js/utils/ajv.js +4 -5
- package/dist/js/utils/common.js +2 -3
- package/dist/js/utils/filesystem.js +2 -3
- package/manifest/properties.yaml +6 -0
- package/package.json +1 -1
- package/schema/properties_directory/enum_options.json +2 -0
- package/schema/properties_directory/scalar/formation_energy.json +2 -1
- package/schema/property/holder.json +4 -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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@@ -7148,7 +7148,10 @@ 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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@@ -7184,7 +7187,10 @@ export interface JobSchema {
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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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@@ -7205,7 +7211,10 @@ export interface JobSchema {
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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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@@ -7242,7 +7251,10 @@ export interface JobSchema {
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hubbardUValue?: number;
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}[];
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extraData: {
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* UI only property used to track material change for re-render
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materialHash?: string;
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};
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isEdited: boolean;
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} | {
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@@ -7317,7 +7329,10 @@ export interface JobSchema {
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targetFermiEnergy?: number;
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};
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extraData: {
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materialHash?: string;
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};
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} | {
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totalMagnetization: number;
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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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})[];
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@@ -52195,7 +52216,7 @@ export type PropertyType = "scalar" | "non-scalar" | "tensor" | "object";
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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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*/
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-
export type ScalarPropertyEnum = "fermi_energy" | "homo_energy" | "ionization_potential" | "lumo_energy" | "pressure" | "reaction_energy_barrier" | "surface_energy" | "thermal_correction_to_energy" | "thermal_correction_to_enthalpy" | "total_energy" | "total_force" | "valence_band_offset" | "zero_point_energy";
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export type ScalarPropertyEnum = "fermi_energy" | "formation_energy" | "homo_energy" | "ionization_potential" | "lumo_energy" | "pressure" | "reaction_energy_barrier" | "surface_energy" | "thermal_correction_to_energy" | "thermal_correction_to_enthalpy" | "total_energy" | "total_force" | "valence_band_offset" | "zero_point_energy";
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/**
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* This interface was referenced by `PropertiesDirectoryEnumOptions`'s JSON-Schema
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* via the `definition` "NonScalarPropertyEnum".
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@@ -54186,7 +54207,10 @@ export interface WorkflowPropertySchema {
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contextProviderName: "vasp-neb";
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};
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extraData: {
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* UI only property used to track material change for re-render
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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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* 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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hubbardUValue?: number;
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}[];
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} | {
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targetFermiEnergy?: number;
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};
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totalMagnetization: number;
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};
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})[];
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name: "fermi_energy";
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units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
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value: number;
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} | {
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name: "formation_energy";
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units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
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} | {
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name: "homo_energy";
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units: ("kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom") | "eV/A^2";
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|
isEdited: boolean;
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|
} | {
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@@ -60595,7 +60668,10 @@ export interface ExecutionUnitSchemaForPhysicsBasedSimulationEnginesDefinedUsing
|
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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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@@ -60632,7 +60708,10 @@ export interface ExecutionUnitSchemaForPhysicsBasedSimulationEnginesDefinedUsing
|
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|
hubbardUValue?: number;
|
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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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|
} | {
|
|
@@ -60707,7 +60786,10 @@ export interface ExecutionUnitSchemaForPhysicsBasedSimulationEnginesDefinedUsing
|
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|
targetFermiEnergy?: number;
|
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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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@@ -60759,7 +60841,10 @@ export interface ExecutionUnitSchemaForPhysicsBasedSimulationEnginesDefinedUsing
|
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|
totalMagnetization: number;
|
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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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|
} | {
|
|
@@ -60797,7 +60882,10 @@ export interface ExecutionUnitSchemaForPhysicsBasedSimulationEnginesDefinedUsing
|
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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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@@ -61755,7 +61843,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
|
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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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@@ -61791,7 +61882,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
|
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|
preferGridMetric?: boolean;
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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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@@ -61812,7 +61906,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
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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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@@ -61849,7 +61946,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
|
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|
hubbardUValue?: number;
|
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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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@@ -61924,7 +62024,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
|
|
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|
targetFermiEnergy?: number;
|
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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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@@ -61976,7 +62079,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
|
|
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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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|
} | {
|
|
@@ -62014,7 +62120,10 @@ export interface ExecutionUnitSchemaForScriptingBasedApplications {
|
|
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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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|
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|
+
materialHash?: string;
|
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|
};
|
|
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|
isEdited: boolean;
|
|
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|
})[];
|
|
@@ -63710,7 +63819,10 @@ export interface BaseWorkflowSchema {
|
|
|
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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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|
} | {
|
|
@@ -63746,7 +63858,10 @@ export interface BaseWorkflowSchema {
|
|
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|
preferGridMetric?: boolean;
|
|
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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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|
+
* 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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|
} | {
|
|
@@ -63767,7 +63882,10 @@ export interface BaseWorkflowSchema {
|
|
|
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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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|
} | {
|
|
@@ -63804,7 +63922,10 @@ export interface BaseWorkflowSchema {
|
|
|
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63922
|
hubbardUValue?: number;
|
|
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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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|
} | {
|
|
@@ -63879,7 +64000,10 @@ export interface BaseWorkflowSchema {
|
|
|
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|
targetFermiEnergy?: number;
|
|
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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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|
+
* 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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|
} | {
|
|
@@ -63931,7 +64055,10 @@ export interface BaseWorkflowSchema {
|
|
|
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|
totalMagnetization: number;
|
|
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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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|
+
* 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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|
} | {
|
|
@@ -63969,7 +64096,10 @@ export interface BaseWorkflowSchema {
|
|
|
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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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|
})[];
|
|
@@ -65924,7 +66054,10 @@ export interface SubworkflowMixinSchema {
|
|
|
65924
66054
|
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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|
} | {
|
|
@@ -65960,7 +66093,10 @@ export interface SubworkflowMixinSchema {
|
|
|
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|
preferGridMetric?: boolean;
|
|
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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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|
} | {
|
|
@@ -65981,7 +66117,10 @@ export interface SubworkflowMixinSchema {
|
|
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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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|
} | {
|
|
@@ -66018,7 +66157,10 @@ export interface SubworkflowMixinSchema {
|
|
|
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66157
|
hubbardUValue?: number;
|
|
66019
66158
|
}[];
|
|
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|
extraData: {
|
|
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|
-
|
|
66160
|
+
/**
|
|
66161
|
+
* UI only property used to track material change for re-render
|
|
66162
|
+
*/
|
|
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|
+
materialHash?: string;
|
|
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|
};
|
|
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|
isEdited: boolean;
|
|
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|
} | {
|
|
@@ -66093,7 +66235,10 @@ export interface SubworkflowMixinSchema {
|
|
|
66093
66235
|
targetFermiEnergy?: number;
|
|
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66236
|
};
|
|
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|
extraData: {
|
|
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|
-
|
|
66238
|
+
/**
|
|
66239
|
+
* UI only property used to track material change for re-render
|
|
66240
|
+
*/
|
|
66241
|
+
materialHash?: string;
|
|
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66242
|
};
|
|
66098
66243
|
isEdited: boolean;
|
|
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|
} | {
|
|
@@ -66145,7 +66290,10 @@ export interface SubworkflowMixinSchema {
|
|
|
66145
66290
|
totalMagnetization: number;
|
|
66146
66291
|
};
|
|
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|
extraData: {
|
|
66148
|
-
|
|
66293
|
+
/**
|
|
66294
|
+
* UI only property used to track material change for re-render
|
|
66295
|
+
*/
|
|
66296
|
+
materialHash?: string;
|
|
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66297
|
};
|
|
66150
66298
|
isEdited: boolean;
|
|
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|
} | {
|
|
@@ -66183,7 +66331,10 @@ export interface SubworkflowMixinSchema {
|
|
|
66183
66331
|
};
|
|
66184
66332
|
};
|
|
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66333
|
extraData: {
|
|
66186
|
-
|
|
66334
|
+
/**
|
|
66335
|
+
* UI only property used to track material change for re-render
|
|
66336
|
+
*/
|
|
66337
|
+
materialHash?: string;
|
|
66187
66338
|
};
|
|
66188
66339
|
isEdited: boolean;
|
|
66189
66340
|
})[];
|
|
@@ -67536,7 +67687,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67536
67687
|
contextProviderName: "vasp-neb";
|
|
67537
67688
|
};
|
|
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67689
|
extraData: {
|
|
67539
|
-
|
|
67690
|
+
/**
|
|
67691
|
+
* UI only property used to track material change for re-render
|
|
67692
|
+
*/
|
|
67693
|
+
materialHash?: string;
|
|
67540
67694
|
};
|
|
67541
67695
|
isEdited: boolean;
|
|
67542
67696
|
} | {
|
|
@@ -67572,7 +67726,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67572
67726
|
preferGridMetric?: boolean;
|
|
67573
67727
|
};
|
|
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67728
|
extraData: {
|
|
67575
|
-
|
|
67729
|
+
/**
|
|
67730
|
+
* UI only property used to track material change for re-render
|
|
67731
|
+
*/
|
|
67732
|
+
materialHash?: string;
|
|
67576
67733
|
};
|
|
67577
67734
|
isEdited: boolean;
|
|
67578
67735
|
} | {
|
|
@@ -67593,7 +67750,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67593
67750
|
}[]
|
|
67594
67751
|
];
|
|
67595
67752
|
extraData: {
|
|
67596
|
-
|
|
67753
|
+
/**
|
|
67754
|
+
* UI only property used to track material change for re-render
|
|
67755
|
+
*/
|
|
67756
|
+
materialHash?: string;
|
|
67597
67757
|
};
|
|
67598
67758
|
isEdited: boolean;
|
|
67599
67759
|
} | {
|
|
@@ -67630,7 +67790,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67630
67790
|
hubbardUValue?: number;
|
|
67631
67791
|
}[];
|
|
67632
67792
|
extraData: {
|
|
67633
|
-
|
|
67793
|
+
/**
|
|
67794
|
+
* UI only property used to track material change for re-render
|
|
67795
|
+
*/
|
|
67796
|
+
materialHash?: string;
|
|
67634
67797
|
};
|
|
67635
67798
|
isEdited: boolean;
|
|
67636
67799
|
} | {
|
|
@@ -67705,7 +67868,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67705
67868
|
targetFermiEnergy?: number;
|
|
67706
67869
|
};
|
|
67707
67870
|
extraData: {
|
|
67708
|
-
|
|
67871
|
+
/**
|
|
67872
|
+
* UI only property used to track material change for re-render
|
|
67873
|
+
*/
|
|
67874
|
+
materialHash?: string;
|
|
67709
67875
|
};
|
|
67710
67876
|
isEdited: boolean;
|
|
67711
67877
|
} | {
|
|
@@ -67757,7 +67923,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67757
67923
|
totalMagnetization: number;
|
|
67758
67924
|
};
|
|
67759
67925
|
extraData: {
|
|
67760
|
-
|
|
67926
|
+
/**
|
|
67927
|
+
* UI only property used to track material change for re-render
|
|
67928
|
+
*/
|
|
67929
|
+
materialHash?: string;
|
|
67761
67930
|
};
|
|
67762
67931
|
isEdited: boolean;
|
|
67763
67932
|
} | {
|
|
@@ -67795,7 +67964,10 @@ export type WorkflowSubworkflowUnitSchema = {
|
|
|
67795
67964
|
};
|
|
67796
67965
|
};
|
|
67797
67966
|
extraData: {
|
|
67798
|
-
|
|
67967
|
+
/**
|
|
67968
|
+
* UI only property used to track material change for re-render
|
|
67969
|
+
*/
|
|
67970
|
+
materialHash?: string;
|
|
67799
67971
|
};
|
|
67800
67972
|
isEdited: boolean;
|
|
67801
67973
|
})[];
|
|
@@ -69079,7 +69251,10 @@ export interface SubworkflowSchema {
|
|
|
69079
69251
|
contextProviderName: "vasp-neb";
|
|
69080
69252
|
};
|
|
69081
69253
|
extraData: {
|
|
69082
|
-
|
|
69254
|
+
/**
|
|
69255
|
+
* UI only property used to track material change for re-render
|
|
69256
|
+
*/
|
|
69257
|
+
materialHash?: string;
|
|
69083
69258
|
};
|
|
69084
69259
|
isEdited: boolean;
|
|
69085
69260
|
} | {
|
|
@@ -69115,7 +69290,10 @@ export interface SubworkflowSchema {
|
|
|
69115
69290
|
preferGridMetric?: boolean;
|
|
69116
69291
|
};
|
|
69117
69292
|
extraData: {
|
|
69118
|
-
|
|
69293
|
+
/**
|
|
69294
|
+
* UI only property used to track material change for re-render
|
|
69295
|
+
*/
|
|
69296
|
+
materialHash?: string;
|
|
69119
69297
|
};
|
|
69120
69298
|
isEdited: boolean;
|
|
69121
69299
|
} | {
|
|
@@ -69136,7 +69314,10 @@ export interface SubworkflowSchema {
|
|
|
69136
69314
|
}[]
|
|
69137
69315
|
];
|
|
69138
69316
|
extraData: {
|
|
69139
|
-
|
|
69317
|
+
/**
|
|
69318
|
+
* UI only property used to track material change for re-render
|
|
69319
|
+
*/
|
|
69320
|
+
materialHash?: string;
|
|
69140
69321
|
};
|
|
69141
69322
|
isEdited: boolean;
|
|
69142
69323
|
} | {
|
|
@@ -69173,7 +69354,10 @@ export interface SubworkflowSchema {
|
|
|
69173
69354
|
hubbardUValue?: number;
|
|
69174
69355
|
}[];
|
|
69175
69356
|
extraData: {
|
|
69176
|
-
|
|
69357
|
+
/**
|
|
69358
|
+
* UI only property used to track material change for re-render
|
|
69359
|
+
*/
|
|
69360
|
+
materialHash?: string;
|
|
69177
69361
|
};
|
|
69178
69362
|
isEdited: boolean;
|
|
69179
69363
|
} | {
|
|
@@ -69248,7 +69432,10 @@ export interface SubworkflowSchema {
|
|
|
69248
69432
|
targetFermiEnergy?: number;
|
|
69249
69433
|
};
|
|
69250
69434
|
extraData: {
|
|
69251
|
-
|
|
69435
|
+
/**
|
|
69436
|
+
* UI only property used to track material change for re-render
|
|
69437
|
+
*/
|
|
69438
|
+
materialHash?: string;
|
|
69252
69439
|
};
|
|
69253
69440
|
isEdited: boolean;
|
|
69254
69441
|
} | {
|
|
@@ -69300,7 +69487,10 @@ export interface SubworkflowSchema {
|
|
|
69300
69487
|
totalMagnetization: number;
|
|
69301
69488
|
};
|
|
69302
69489
|
extraData: {
|
|
69303
|
-
|
|
69490
|
+
/**
|
|
69491
|
+
* UI only property used to track material change for re-render
|
|
69492
|
+
*/
|
|
69493
|
+
materialHash?: string;
|
|
69304
69494
|
};
|
|
69305
69495
|
isEdited: boolean;
|
|
69306
69496
|
} | {
|
|
@@ -69338,7 +69528,10 @@ export interface SubworkflowSchema {
|
|
|
69338
69528
|
};
|
|
69339
69529
|
};
|
|
69340
69530
|
extraData: {
|
|
69341
|
-
|
|
69531
|
+
/**
|
|
69532
|
+
* UI only property used to track material change for re-render
|
|
69533
|
+
*/
|
|
69534
|
+
materialHash?: string;
|
|
69342
69535
|
};
|
|
69343
69536
|
isEdited: boolean;
|
|
69344
69537
|
})[];
|
|
@@ -70121,7 +70314,10 @@ export interface BaseContextItemSchema {
|
|
|
70121
70314
|
}
|
|
70122
70315
|
/** Schema dist/js/schema/workflow/unit/context/_extra_data_material_hash.json */
|
|
70123
70316
|
export interface ExtraDataWithMaterialHashSchema {
|
|
70124
|
-
|
|
70317
|
+
/**
|
|
70318
|
+
* UI only property used to track material change for re-render
|
|
70319
|
+
*/
|
|
70320
|
+
materialHash?: string;
|
|
70125
70321
|
}
|
|
70126
70322
|
/** Schema dist/js/schema/workflow/unit/context/item/boundaryConditions.json */
|
|
70127
70323
|
export interface BoundaryConditionsContextItemSchema {
|
|
@@ -70136,7 +70332,10 @@ export interface BoundaryConditionsContextItemSchema {
|
|
|
70136
70332
|
targetFermiEnergy?: number;
|
|
70137
70333
|
};
|
|
70138
70334
|
extraData: {
|
|
70139
|
-
|
|
70335
|
+
/**
|
|
70336
|
+
* UI only property used to track material change for re-render
|
|
70337
|
+
*/
|
|
70338
|
+
materialHash?: string;
|
|
70140
70339
|
};
|
|
70141
70340
|
isEdited: boolean;
|
|
70142
70341
|
}
|
|
@@ -70156,7 +70355,10 @@ export interface CollinearMagnetizationContextItemSchema {
|
|
|
70156
70355
|
totalMagnetization: number;
|
|
70157
70356
|
};
|
|
70158
70357
|
extraData: {
|
|
70159
|
-
|
|
70358
|
+
/**
|
|
70359
|
+
* UI only property used to track material change for re-render
|
|
70360
|
+
*/
|
|
70361
|
+
materialHash?: string;
|
|
70160
70362
|
};
|
|
70161
70363
|
isEdited: boolean;
|
|
70162
70364
|
}
|
|
@@ -70211,7 +70413,10 @@ export interface GridContextItemSchema {
|
|
|
70211
70413
|
preferGridMetric?: boolean;
|
|
70212
70414
|
};
|
|
70213
70415
|
extraData: {
|
|
70214
|
-
|
|
70416
|
+
/**
|
|
70417
|
+
* UI only property used to track material change for re-render
|
|
70418
|
+
*/
|
|
70419
|
+
materialHash?: string;
|
|
70215
70420
|
};
|
|
70216
70421
|
isEdited: boolean;
|
|
70217
70422
|
}
|
|
@@ -70275,7 +70480,10 @@ export interface HubbardUContextItemSchema {
|
|
|
70275
70480
|
hubbardUValue?: number;
|
|
70276
70481
|
}[];
|
|
70277
70482
|
extraData: {
|
|
70278
|
-
|
|
70483
|
+
/**
|
|
70484
|
+
* UI only property used to track material change for re-render
|
|
70485
|
+
*/
|
|
70486
|
+
materialHash?: string;
|
|
70279
70487
|
};
|
|
70280
70488
|
isEdited: boolean;
|
|
70281
70489
|
}
|
|
@@ -70634,7 +70842,10 @@ export interface InputContextItemSchema {
|
|
|
70634
70842
|
contextProviderName: "vasp-neb";
|
|
70635
70843
|
};
|
|
70636
70844
|
extraData: {
|
|
70637
|
-
|
|
70845
|
+
/**
|
|
70846
|
+
* UI only property used to track material change for re-render
|
|
70847
|
+
*/
|
|
70848
|
+
materialHash?: string;
|
|
70638
70849
|
};
|
|
70639
70850
|
isEdited: boolean;
|
|
70640
70851
|
}
|
|
@@ -70711,7 +70922,10 @@ export interface NonCollinearMagnetizationContextItemSchema {
|
|
|
70711
70922
|
};
|
|
70712
70923
|
};
|
|
70713
70924
|
extraData: {
|
|
70714
|
-
|
|
70925
|
+
/**
|
|
70926
|
+
* UI only property used to track material change for re-render
|
|
70927
|
+
*/
|
|
70928
|
+
materialHash?: string;
|
|
70715
70929
|
};
|
|
70716
70930
|
isEdited: boolean;
|
|
70717
70931
|
}
|
|
@@ -70734,7 +70948,10 @@ export interface PathContextItemSchema {
|
|
|
70734
70948
|
}[]
|
|
70735
70949
|
];
|
|
70736
70950
|
extraData: {
|
|
70737
|
-
|
|
70951
|
+
/**
|
|
70952
|
+
* UI only property used to track material change for re-render
|
|
70953
|
+
*/
|
|
70954
|
+
materialHash?: string;
|
|
70738
70955
|
};
|
|
70739
70956
|
isEdited: boolean;
|
|
70740
70957
|
}
|
|
@@ -71062,7 +71279,10 @@ export type ContextItemSchema = {
|
|
|
71062
71279
|
contextProviderName: "vasp-neb";
|
|
71063
71280
|
};
|
|
71064
71281
|
extraData: {
|
|
71065
|
-
|
|
71282
|
+
/**
|
|
71283
|
+
* UI only property used to track material change for re-render
|
|
71284
|
+
*/
|
|
71285
|
+
materialHash?: string;
|
|
71066
71286
|
};
|
|
71067
71287
|
isEdited: boolean;
|
|
71068
71288
|
} | {
|
|
@@ -71098,7 +71318,10 @@ export type ContextItemSchema = {
|
|
|
71098
71318
|
preferGridMetric?: boolean;
|
|
71099
71319
|
};
|
|
71100
71320
|
extraData: {
|
|
71101
|
-
|
|
71321
|
+
/**
|
|
71322
|
+
* UI only property used to track material change for re-render
|
|
71323
|
+
*/
|
|
71324
|
+
materialHash?: string;
|
|
71102
71325
|
};
|
|
71103
71326
|
isEdited: boolean;
|
|
71104
71327
|
} | {
|
|
@@ -71119,7 +71342,10 @@ export type ContextItemSchema = {
|
|
|
71119
71342
|
}[]
|
|
71120
71343
|
];
|
|
71121
71344
|
extraData: {
|
|
71122
|
-
|
|
71345
|
+
/**
|
|
71346
|
+
* UI only property used to track material change for re-render
|
|
71347
|
+
*/
|
|
71348
|
+
materialHash?: string;
|
|
71123
71349
|
};
|
|
71124
71350
|
isEdited: boolean;
|
|
71125
71351
|
} | {
|
|
@@ -71156,7 +71382,10 @@ export type ContextItemSchema = {
|
|
|
71156
71382
|
hubbardUValue?: number;
|
|
71157
71383
|
}[];
|
|
71158
71384
|
extraData: {
|
|
71159
|
-
|
|
71385
|
+
/**
|
|
71386
|
+
* UI only property used to track material change for re-render
|
|
71387
|
+
*/
|
|
71388
|
+
materialHash?: string;
|
|
71160
71389
|
};
|
|
71161
71390
|
isEdited: boolean;
|
|
71162
71391
|
} | {
|
|
@@ -71231,7 +71460,10 @@ export type ContextItemSchema = {
|
|
|
71231
71460
|
targetFermiEnergy?: number;
|
|
71232
71461
|
};
|
|
71233
71462
|
extraData: {
|
|
71234
|
-
|
|
71463
|
+
/**
|
|
71464
|
+
* UI only property used to track material change for re-render
|
|
71465
|
+
*/
|
|
71466
|
+
materialHash?: string;
|
|
71235
71467
|
};
|
|
71236
71468
|
isEdited: boolean;
|
|
71237
71469
|
} | {
|
|
@@ -71283,7 +71515,10 @@ export type ContextItemSchema = {
|
|
|
71283
71515
|
totalMagnetization: number;
|
|
71284
71516
|
};
|
|
71285
71517
|
extraData: {
|
|
71286
|
-
|
|
71518
|
+
/**
|
|
71519
|
+
* UI only property used to track material change for re-render
|
|
71520
|
+
*/
|
|
71521
|
+
materialHash?: string;
|
|
71287
71522
|
};
|
|
71288
71523
|
isEdited: boolean;
|
|
71289
71524
|
} | {
|
|
@@ -71321,7 +71556,10 @@ export type ContextItemSchema = {
|
|
|
71321
71556
|
};
|
|
71322
71557
|
};
|
|
71323
71558
|
extraData: {
|
|
71324
|
-
|
|
71559
|
+
/**
|
|
71560
|
+
* UI only property used to track material change for re-render
|
|
71561
|
+
*/
|
|
71562
|
+
materialHash?: string;
|
|
71325
71563
|
};
|
|
71326
71564
|
isEdited: boolean;
|
|
71327
71565
|
};
|
|
@@ -71967,7 +72205,10 @@ export interface ExecutionUnitSchema {
|
|
|
71967
72205
|
contextProviderName: "vasp-neb";
|
|
71968
72206
|
};
|
|
71969
72207
|
extraData: {
|
|
71970
|
-
|
|
72208
|
+
/**
|
|
72209
|
+
* UI only property used to track material change for re-render
|
|
72210
|
+
*/
|
|
72211
|
+
materialHash?: string;
|
|
71971
72212
|
};
|
|
71972
72213
|
isEdited: boolean;
|
|
71973
72214
|
} | {
|
|
@@ -72003,7 +72244,10 @@ export interface ExecutionUnitSchema {
|
|
|
72003
72244
|
preferGridMetric?: boolean;
|
|
72004
72245
|
};
|
|
72005
72246
|
extraData: {
|
|
72006
|
-
|
|
72247
|
+
/**
|
|
72248
|
+
* UI only property used to track material change for re-render
|
|
72249
|
+
*/
|
|
72250
|
+
materialHash?: string;
|
|
72007
72251
|
};
|
|
72008
72252
|
isEdited: boolean;
|
|
72009
72253
|
} | {
|
|
@@ -72024,7 +72268,10 @@ export interface ExecutionUnitSchema {
|
|
|
72024
72268
|
}[]
|
|
72025
72269
|
];
|
|
72026
72270
|
extraData: {
|
|
72027
|
-
|
|
72271
|
+
/**
|
|
72272
|
+
* UI only property used to track material change for re-render
|
|
72273
|
+
*/
|
|
72274
|
+
materialHash?: string;
|
|
72028
72275
|
};
|
|
72029
72276
|
isEdited: boolean;
|
|
72030
72277
|
} | {
|
|
@@ -72061,7 +72308,10 @@ export interface ExecutionUnitSchema {
|
|
|
72061
72308
|
hubbardUValue?: number;
|
|
72062
72309
|
}[];
|
|
72063
72310
|
extraData: {
|
|
72064
|
-
|
|
72311
|
+
/**
|
|
72312
|
+
* UI only property used to track material change for re-render
|
|
72313
|
+
*/
|
|
72314
|
+
materialHash?: string;
|
|
72065
72315
|
};
|
|
72066
72316
|
isEdited: boolean;
|
|
72067
72317
|
} | {
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@@ -72136,7 +72386,10 @@ export interface ExecutionUnitSchema {
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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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@@ -72188,7 +72441,10 @@ export interface ExecutionUnitSchema {
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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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@@ -72226,7 +72482,10 @@ export interface ExecutionUnitSchema {
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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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@@ -73365,7 +73624,10 @@ export interface ExecutionUnitMixinSchema {
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contextProviderName: "vasp-neb";
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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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@@ -73401,7 +73663,10 @@ export interface ExecutionUnitMixinSchema {
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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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isEdited: boolean;
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} | {
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@@ -73422,7 +73687,10 @@ export interface ExecutionUnitMixinSchema {
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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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@@ -73459,7 +73727,10 @@ export interface ExecutionUnitMixinSchema {
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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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@@ -73534,7 +73805,10 @@ export interface ExecutionUnitMixinSchema {
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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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@@ -73586,7 +73860,10 @@ export interface ExecutionUnitMixinSchema {
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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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@@ -73624,7 +73901,10 @@ export interface ExecutionUnitMixinSchema {
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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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@@ -75687,7 +75967,10 @@ export interface WorkflowSchema {
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contextProviderName: "vasp-neb";
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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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@@ -75723,7 +76006,10 @@ export interface WorkflowSchema {
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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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isEdited: boolean;
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} | {
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@@ -75744,7 +76030,10 @@ export interface WorkflowSchema {
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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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@@ -75781,7 +76070,10 @@ export interface WorkflowSchema {
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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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} | {
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@@ -75856,7 +76148,10 @@ export interface WorkflowSchema {
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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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@@ -75908,7 +76203,10 @@ export interface WorkflowSchema {
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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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@@ -75946,7 +76244,10 @@ export interface WorkflowSchema {
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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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