@mat3ra/prode 2026.6.12-0 → 2026.7.14-0

package/dist/js/PropertyFactory.d.ts

@@ -26,6 +26,7 @@ import TotalEnergyContributionsProperty from "./properties/object/TotalEnergyCon
 import FermiEnergyProperty from "./properties/scalar/FermiEnergyProperty";
 import FormationEnergyProperty from "./properties/scalar/FormationEnergyProperty";
 import HOMOEnergyProperty from "./properties/scalar/HOMOEnergyProperty";
+import InterfacialEnergyProperty from "./properties/scalar/InterfacialEnergyProperty";
 import IonizationPotentialElementalProperty from "./properties/scalar/IonizationPotentialElementalProperty";
 import LUMOEnergyProperty from "./properties/scalar/LUMOEnergyProperty";
 import PressureProperty from "./properties/scalar/PressureProperty";
@@ -55,7 +56,7 @@ export default class PropertyFactory {
     static getNonScalarPropertyNames(): PropertyName[];
     static getArrayOfObjectsPropertyNames(): PropertyName[];
     private static filterPropertyNames;
-    static createProperty(config: AnyProperty): FormationEnergyContributionsProperty | AveragePotentialProfileProperty | BandGapsProperty | BandStructureProperty | ChargeDensityProfileProperty | ConvergenceElectronicProperty | ConvergenceIonicProperty | DensityOfStatesProperty | DielectricTensorProperty | FileContentProperty | FinalStructureProperty | HubbardUProperty | HubbardVNNProperty | HubbardVProperty | IsRelaxedProperty | JupyterNotebookEndpointProperty | PhononDispersionsProperty | PhononDOSProperty | PotentialProfileProperty | ReactionEnergyProfileProperty | WavefunctionAmplitudeProperty | WorkflowProperty | TotalEnergyContributionsProperty | FermiEnergyProperty | FormationEnergyProperty | HOMOEnergyProperty | IonizationPotentialElementalProperty | LUMOEnergyProperty | PressureProperty | ReactionEnergyBarrierProperty | SurfaceEnergyProperty | ThermalCorrectionToEnergyProperty | ThermalCorrectionToEnthalpyProperty | TotalEnergyProperty | TotalForcesProperty | ValenceBandOffsetProperty | ZeroPointEnergyProperty | AtomicForcesProperty | MagneticMomentsProperty | StressTensorProperty;
+    static createProperty(config: AnyProperty): FormationEnergyContributionsProperty | AveragePotentialProfileProperty | BandGapsProperty | BandStructureProperty | ChargeDensityProfileProperty | ConvergenceElectronicProperty | ConvergenceIonicProperty | DensityOfStatesProperty | DielectricTensorProperty | FileContentProperty | FinalStructureProperty | HubbardUProperty | HubbardVNNProperty | HubbardVProperty | IsRelaxedProperty | JupyterNotebookEndpointProperty | PhononDispersionsProperty | PhononDOSProperty | PotentialProfileProperty | ReactionEnergyProfileProperty | WavefunctionAmplitudeProperty | WorkflowProperty | TotalEnergyContributionsProperty | FermiEnergyProperty | FormationEnergyProperty | HOMOEnergyProperty | InterfacialEnergyProperty | IonizationPotentialElementalProperty | LUMOEnergyProperty | PressureProperty | ReactionEnergyBarrierProperty | SurfaceEnergyProperty | ThermalCorrectionToEnergyProperty | ThermalCorrectionToEnthalpyProperty | TotalEnergyProperty | TotalForcesProperty | ValenceBandOffsetProperty | ZeroPointEnergyProperty | AtomicForcesProperty | MagneticMomentsProperty | StressTensorProperty;
     static createMetaProperty(config: AnyMetaProperty): MetaProperty;
     static createProtoProperty(config: AnyProtoProperty): AtomicConstraintsProperty | BoundaryConditionsProperty;
 }

package/dist/js/PropertyFactory.js

@@ -30,6 +30,7 @@ const TotalEnergyContributionsProperty_1 = __importDefault(require("./properties
 const FermiEnergyProperty_1 = __importDefault(require("./properties/scalar/FermiEnergyProperty"));
 const FormationEnergyProperty_1 = __importDefault(require("./properties/scalar/FormationEnergyProperty"));
 const HOMOEnergyProperty_1 = __importDefault(require("./properties/scalar/HOMOEnergyProperty"));
+const InterfacialEnergyProperty_1 = __importDefault(require("./properties/scalar/InterfacialEnergyProperty"));
 const IonizationPotentialElementalProperty_1 = __importDefault(require("./properties/scalar/IonizationPotentialElementalProperty"));
 const LUMOEnergyProperty_1 = __importDefault(require("./properties/scalar/LUMOEnergyProperty"));
 const PressureProperty_1 = __importDefault(require("./properties/scalar/PressureProperty"));
@@ -55,6 +56,7 @@ const PROPERTY_CLASS_MAP = {
     [LUMOEnergyProperty_1.default.propertyName]: LUMOEnergyProperty_1.default,
     [FormationEnergyProperty_1.default.propertyName]: FormationEnergyProperty_1.default,
     [SurfaceEnergyProperty_1.default.propertyName]: SurfaceEnergyProperty_1.default,
+    [InterfacialEnergyProperty_1.default.propertyName]: InterfacialEnergyProperty_1.default,
     [ConvergenceElectronicProperty_1.default.propertyName]: ConvergenceElectronicProperty_1.default,
     [ConvergenceIonicProperty_1.default.propertyName]: ConvergenceIonicProperty_1.default,
     [FermiEnergyProperty_1.default.propertyName]: FermiEnergyProperty_1.default,

package/dist/js/generated/InterfacialEnergyPropertySchemaMixin.d.ts

@@ -0,0 +1,5 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { InterfacialEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+export type InterfacialEnergyPropertySchemaMixin = Omit<InterfacialEnergyPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
+export type InterfacialEnergyPropertyInMemoryEntity = InMemoryEntity & InterfacialEnergyPropertySchemaMixin;
+export declare function interfacialEnergyPropertySchemaMixin<T extends InMemoryEntity>(item: InMemoryEntity): asserts item is T & InterfacialEnergyPropertySchemaMixin;

package/dist/js/generated/InterfacialEnergyPropertySchemaMixin.js

@@ -0,0 +1,27 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.interfacialEnergyPropertySchemaMixin = interfacialEnergyPropertySchemaMixin;
+function interfacialEnergyPropertySchemaMixin(item) {
+    // @ts-expect-error
+    const properties = {
+        get name() {
+            return this.requiredProp("name");
+        },
+        set name(value) {
+            this.setProp("name", value);
+        },
+        get units() {
+            return this.requiredProp("units");
+        },
+        set units(value) {
+            this.setProp("units", value);
+        },
+        get value() {
+            return this.requiredProp("value");
+        },
+        set value(value) {
+            this.setProp("value", value);
+        },
+    };
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

package/dist/js/generated/WorkflowPropertySchemaMixin.js

@@ -16,6 +16,12 @@ function workflowPropertySchemaMixin(item) {
         set workflows(value) {
             this.setProp("workflows", value);
         },
+        get compute() {
+            return this.prop("compute");
+        },
+        set compute(value) {
+            this.setProp("compute", value);
+        },
         get metadata() {
             return this.prop("metadata");
         },
@@ -64,6 +70,18 @@ function workflowPropertySchemaMixin(item) {
         set tags(value) {
             this.setProp("tags", value);
         },
+        get description() {
+            return this.prop("description");
+        },
+        set description(value) {
+            this.setProp("description", value);
+        },
+        get descriptionObject() {
+            return this.prop("descriptionObject");
+        },
+        set descriptionObject(value) {
+            this.setProp("descriptionObject", value);
+        },
     };
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
 }

package/dist/js/index.d.ts

@@ -11,6 +11,7 @@ export { default as PressureProperty } from "./properties/scalar/PressurePropert
 export { default as ReactionEnergyBarrierProperty } from "./properties/scalar/ReactionEnergyBarrierProperty";
 export { default as FormationEnergyProperty } from "./properties/scalar/FormationEnergyProperty";
 export { default as SurfaceEnergyProperty } from "./properties/scalar/SurfaceEnergyProperty";
+export { default as InterfacialEnergyProperty } from "./properties/scalar/InterfacialEnergyProperty";
 export { default as TotalEnergyProperty } from "./properties/scalar/TotalEnergyProperty";
 export { default as HOMOEnergyProperty } from "./properties/scalar/HOMOEnergyProperty";
 export { default as LUMOEnergyProperty } from "./properties/scalar/LUMOEnergyProperty";

package/dist/js/index.js

@@ -17,7 +17,7 @@ var __importDefault = (this && this.__importDefault) || function (mod) {
     return (mod && mod.__esModule) ? mod : { "default": mod };
 };
 Object.defineProperty(exports, "__esModule", { value: true });
-exports.ProtoPropertyHolder = exports.MetaPropertyHolder = exports.PropertyHolder = exports.metaPropertyHolderMixin = exports.propertyHolderMixin = exports.protoPropertyHolderMixin = exports.ReactionEnergyProfileProperty = exports.WavefunctionAmplitudeProperty = exports.PotentialProfileProperty = exports.ChargeDensityProfileProperty = exports.BandStructureProperty = exports.ThermalCorrectionToEnthalpyProperty = exports.ThermalCorrectionToEnergyProperty = exports.LUMOEnergyProperty = exports.HOMOEnergyProperty = exports.TotalEnergyProperty = exports.SurfaceEnergyProperty = exports.FormationEnergyProperty = exports.ReactionEnergyBarrierProperty = exports.PressureProperty = exports.IsRelaxedProperty = exports.BandGapsProperty = exports.FinalStructureProperty = exports.FormationEnergyContributionsProperty = exports.PseudopotentialMetaProperty = exports.MetaProperty = exports.Property = exports.PropertyType = exports.PropertyName = exports.PropertyFactory = void 0;
+exports.ProtoPropertyHolder = exports.MetaPropertyHolder = exports.PropertyHolder = exports.metaPropertyHolderMixin = exports.propertyHolderMixin = exports.protoPropertyHolderMixin = exports.ReactionEnergyProfileProperty = exports.WavefunctionAmplitudeProperty = exports.PotentialProfileProperty = exports.ChargeDensityProfileProperty = exports.BandStructureProperty = exports.ThermalCorrectionToEnthalpyProperty = exports.ThermalCorrectionToEnergyProperty = exports.LUMOEnergyProperty = exports.HOMOEnergyProperty = exports.TotalEnergyProperty = exports.InterfacialEnergyProperty = exports.SurfaceEnergyProperty = exports.FormationEnergyProperty = exports.ReactionEnergyBarrierProperty = exports.PressureProperty = exports.IsRelaxedProperty = exports.BandGapsProperty = exports.FinalStructureProperty = exports.FormationEnergyContributionsProperty = exports.PseudopotentialMetaProperty = exports.MetaProperty = exports.Property = exports.PropertyType = exports.PropertyName = exports.PropertyFactory = void 0;
 var PropertyFactory_1 = require("./PropertyFactory");
 Object.defineProperty(exports, "PropertyFactory", { enumerable: true, get: function () { return __importDefault(PropertyFactory_1).default; } });
 var settings_1 = require("./settings");
@@ -45,6 +45,8 @@ var FormationEnergyProperty_1 = require("./properties/scalar/FormationEnergyProp
 Object.defineProperty(exports, "FormationEnergyProperty", { enumerable: true, get: function () { return __importDefault(FormationEnergyProperty_1).default; } });
 var SurfaceEnergyProperty_1 = require("./properties/scalar/SurfaceEnergyProperty");
 Object.defineProperty(exports, "SurfaceEnergyProperty", { enumerable: true, get: function () { return __importDefault(SurfaceEnergyProperty_1).default; } });
+var InterfacialEnergyProperty_1 = require("./properties/scalar/InterfacialEnergyProperty");
+Object.defineProperty(exports, "InterfacialEnergyProperty", { enumerable: true, get: function () { return __importDefault(InterfacialEnergyProperty_1).default; } });
 var TotalEnergyProperty_1 = require("./properties/scalar/TotalEnergyProperty");
 Object.defineProperty(exports, "TotalEnergyProperty", { enumerable: true, get: function () { return __importDefault(TotalEnergyProperty_1).default; } });
 var HOMOEnergyProperty_1 = require("./properties/scalar/HOMOEnergyProperty");

package/dist/js/properties/scalar/InterfacialEnergyProperty.d.ts

@@ -0,0 +1,15 @@
+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { InterfacialEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+import { InterfacialEnergyPropertySchemaMixin } from "../../generated/InterfacialEnergyPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+type Schema = InterfacialEnergyPropertySchema;
+type Base = typeof Property<Schema> & Constructor<InterfacialEnergyPropertySchemaMixin>;
+declare const InterfacialEnergyProperty_base: Base;
+export default class InterfacialEnergyProperty extends InterfacialEnergyProperty_base implements Schema {
+    static readonly isRefined = true;
+    static readonly propertyName = PropertyName.interfacial_energy;
+    static readonly propertyType = PropertyType.scalar;
+    constructor(config: Omit<Schema, "name">);
+}
+export {};

package/dist/js/properties/scalar/InterfacialEnergyProperty.js

@@ -0,0 +1,18 @@
+"use strict";
+var __importDefault = (this && this.__importDefault) || function (mod) {
+    return (mod && mod.__esModule) ? mod : { "default": mod };
+};
+Object.defineProperty(exports, "__esModule", { value: true });
+const InterfacialEnergyPropertySchemaMixin_1 = require("../../generated/InterfacialEnergyPropertySchemaMixin");
+const Property_1 = __importDefault(require("../../Property"));
+const settings_1 = require("../../settings");
+class InterfacialEnergyProperty extends Property_1.default {
+    constructor(config) {
+        super({ ...config, name: InterfacialEnergyProperty.propertyName });
+    }
+}
+InterfacialEnergyProperty.isRefined = true;
+InterfacialEnergyProperty.propertyName = settings_1.PropertyName.interfacial_energy;
+InterfacialEnergyProperty.propertyType = settings_1.PropertyType.scalar;
+exports.default = InterfacialEnergyProperty;
+(0, InterfacialEnergyPropertySchemaMixin_1.interfacialEnergyPropertySchemaMixin)(InterfacialEnergyProperty.prototype);

package/dist/js/settings.d.ts

@@ -16,6 +16,7 @@ export declare enum PropertyName {
     homo_energy = "homo_energy",
     lumo_energy = "lumo_energy",
     surface_energy = "surface_energy",
+    interfacial_energy = "interfacial_energy",
     formation_energy = "formation_energy",
     convergence_electronic = "convergence_electronic",
     convergence_ionic = "convergence_ionic",

package/dist/js/settings.js

@@ -24,6 +24,7 @@ var PropertyName;
     PropertyName["homo_energy"] = "homo_energy";
     PropertyName["lumo_energy"] = "lumo_energy";
     PropertyName["surface_energy"] = "surface_energy";
+    PropertyName["interfacial_energy"] = "interfacial_energy";
     PropertyName["formation_energy"] = "formation_energy";
     PropertyName["convergence_electronic"] = "convergence_electronic";
     PropertyName["convergence_ionic"] = "convergence_ionic";

package/package.json

@@ -1,6 +1,6 @@
 {
     "name": "@mat3ra/prode",
-    "version": "2026.6.12-0",
+    "version": "2026.7.14-0",
     "description": "PROperty DEfinitions",
     "scripts": {
         "test": "nyc --reporter=text mocha --recursive --bail",
@@ -52,7 +52,7 @@
         "@babel/eslint-parser": "^7.16.3",
         "@exabyte-io/eslint-config": "2025.5.13-0",
         "@mat3ra/code": "2026.5.27-0",
-        "@mat3ra/esse": "2026.6.12-0",
+        "@mat3ra/esse": "2026.7.14-0",
         "@mat3ra/made": "2026.5.28-0",
         "@mat3ra/tsconfig": "2024.6.3-0",
         "@types/lodash": "^4.17.20",

package/src/js/PropertyFactory.ts

@@ -33,6 +33,7 @@ import TotalEnergyContributionsProperty from "./properties/object/TotalEnergyCon
 import FermiEnergyProperty from "./properties/scalar/FermiEnergyProperty";
 import FormationEnergyProperty from "./properties/scalar/FormationEnergyProperty";
 import HOMOEnergyProperty from "./properties/scalar/HOMOEnergyProperty";
+import InterfacialEnergyProperty from "./properties/scalar/InterfacialEnergyProperty";
 import IonizationPotentialElementalProperty from "./properties/scalar/IonizationPotentialElementalProperty";
 import LUMOEnergyProperty from "./properties/scalar/LUMOEnergyProperty";
 import PressureProperty from "./properties/scalar/PressureProperty";
@@ -65,6 +66,7 @@ type PropertyClassMap = {
         | Constructor<LUMOEnergyProperty>
         | Constructor<FormationEnergyProperty>
         | Constructor<SurfaceEnergyProperty>
+        | Constructor<InterfacialEnergyProperty>
         | Constructor<ConvergenceElectronicProperty>
         | Constructor<ConvergenceIonicProperty>
         | Constructor<FermiEnergyProperty>
@@ -118,6 +120,7 @@ const PROPERTY_CLASS_MAP: PropertyClassMap = {
     [LUMOEnergyProperty.propertyName]: LUMOEnergyProperty,
     [FormationEnergyProperty.propertyName]: FormationEnergyProperty,
     [SurfaceEnergyProperty.propertyName]: SurfaceEnergyProperty,
+    [InterfacialEnergyProperty.propertyName]: InterfacialEnergyProperty,
     [ConvergenceElectronicProperty.propertyName]: ConvergenceElectronicProperty,
     [ConvergenceIonicProperty.propertyName]: ConvergenceIonicProperty,
     [FermiEnergyProperty.propertyName]: FermiEnergyProperty,

package/src/js/generated/InterfacialEnergyPropertySchemaMixin.ts

@@ -0,0 +1,38 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { InterfacialEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+export type InterfacialEnergyPropertySchemaMixin = Omit<
+    InterfacialEnergyPropertySchema,
+    "_id" | "slug" | "systemName" | "schemaVersion"
+>;
+
+export type InterfacialEnergyPropertyInMemoryEntity = InMemoryEntity &
+    InterfacialEnergyPropertySchemaMixin;
+
+export function interfacialEnergyPropertySchemaMixin<T extends InMemoryEntity>(
+    item: InMemoryEntity,
+): asserts item is T & InterfacialEnergyPropertySchemaMixin {
+    // @ts-expect-error
+    const properties: InMemoryEntity & InterfacialEnergyPropertySchemaMixin = {
+        get name() {
+            return this.requiredProp<InterfacialEnergyPropertySchema["name"]>("name");
+        },
+        set name(value: InterfacialEnergyPropertySchema["name"]) {
+            this.setProp("name", value);
+        },
+        get units() {
+            return this.requiredProp<InterfacialEnergyPropertySchema["units"]>("units");
+        },
+        set units(value: InterfacialEnergyPropertySchema["units"]) {
+            this.setProp("units", value);
+        },
+        get value() {
+            return this.requiredProp<InterfacialEnergyPropertySchema["value"]>("value");
+        },
+        set value(value: InterfacialEnergyPropertySchema["value"]) {
+            this.setProp("value", value);
+        },
+    };
+
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

package/src/js/generated/WorkflowPropertySchemaMixin.ts

@@ -25,6 +25,12 @@ export function workflowPropertySchemaMixin<T extends InMemoryEntity>(
         set workflows(value: WorkflowPropertySchema["workflows"]) {
             this.setProp("workflows", value);
         },
+        get compute() {
+            return this.prop<WorkflowPropertySchema["compute"]>("compute");
+        },
+        set compute(value: WorkflowPropertySchema["compute"]) {
+            this.setProp("compute", value);
+        },
         get metadata() {
             return this.prop<WorkflowPropertySchema["metadata"]>("metadata");
         },
@@ -73,6 +79,18 @@ export function workflowPropertySchemaMixin<T extends InMemoryEntity>(
         set tags(value: WorkflowPropertySchema["tags"]) {
             this.setProp("tags", value);
         },
+        get description() {
+            return this.prop<WorkflowPropertySchema["description"]>("description");
+        },
+        set description(value: WorkflowPropertySchema["description"]) {
+            this.setProp("description", value);
+        },
+        get descriptionObject() {
+            return this.prop<WorkflowPropertySchema["descriptionObject"]>("descriptionObject");
+        },
+        set descriptionObject(value: WorkflowPropertySchema["descriptionObject"]) {
+            this.setProp("descriptionObject", value);
+        },
     };
 
     Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));

package/src/js/index.ts

@@ -11,6 +11,7 @@ export { default as PressureProperty } from "./properties/scalar/PressurePropert
 export { default as ReactionEnergyBarrierProperty } from "./properties/scalar/ReactionEnergyBarrierProperty";
 export { default as FormationEnergyProperty } from "./properties/scalar/FormationEnergyProperty";
 export { default as SurfaceEnergyProperty } from "./properties/scalar/SurfaceEnergyProperty";
+export { default as InterfacialEnergyProperty } from "./properties/scalar/InterfacialEnergyProperty";
 export { default as TotalEnergyProperty } from "./properties/scalar/TotalEnergyProperty";
 export { default as HOMOEnergyProperty } from "./properties/scalar/HOMOEnergyProperty";
 export { default as LUMOEnergyProperty } from "./properties/scalar/LUMOEnergyProperty";

package/src/js/properties/scalar/InterfacialEnergyProperty.ts

@@ -0,0 +1,27 @@
+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { InterfacialEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    InterfacialEnergyPropertySchemaMixin,
+    interfacialEnergyPropertySchemaMixin,
+} from "../../generated/InterfacialEnergyPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = InterfacialEnergyPropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<InterfacialEnergyPropertySchemaMixin>;
+
+export default class InterfacialEnergyProperty extends (Property as Base) implements Schema {
+    static readonly isRefined = true;
+
+    static readonly propertyName = PropertyName.interfacial_energy;
+
+    static readonly propertyType = PropertyType.scalar;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: InterfacialEnergyProperty.propertyName });
+    }
+}
+
+interfacialEnergyPropertySchemaMixin(InterfacialEnergyProperty.prototype);

package/src/js/settings.ts

@@ -20,6 +20,7 @@ export enum PropertyName {
     homo_energy = "homo_energy",
     lumo_energy = "lumo_energy",
     surface_energy = "surface_energy",
+    interfacial_energy = "interfacial_energy",
     formation_energy = "formation_energy",
     convergence_electronic = "convergence_electronic",
     convergence_ionic = "convergence_ionic",