@mat3ra/prode 2026.3.14-0 → 2026.3.30-0

package/dist/js/PropertyFactory.d.ts

@@ -23,10 +23,14 @@ import WavefunctionAmplitudeProperty from "./properties/non-scalar/WavefunctionA
 import WorkflowProperty from "./properties/non-scalar/WorkflowProperty";
 import TotalEnergyContributionsProperty from "./properties/object/TotalEnergyContributionsProperty";
 import FermiEnergyProperty from "./properties/scalar/FermiEnergyProperty";
+import HOMOEnergyProperty from "./properties/scalar/HOMOEnergyProperty";
 import IonizationPotentialElementalProperty from "./properties/scalar/IonizationPotentialElementalProperty";
+import LUMOEnergyProperty from "./properties/scalar/LUMOEnergyProperty";
 import PressureProperty from "./properties/scalar/PressureProperty";
 import ReactionEnergyBarrierProperty from "./properties/scalar/ReactionEnergyBarrierProperty";
 import SurfaceEnergyProperty from "./properties/scalar/SurfaceEnergyProperty";
+import ThermalCorrectionToEnergyProperty from "./properties/scalar/ThermalCorrectionToEnergyProperty";
+import ThermalCorrectionToEnthalpyProperty from "./properties/scalar/ThermalCorrectionToEnthalpyProperty";
 import TotalEnergyProperty from "./properties/scalar/TotalEnergyProperty";
 import TotalForcesProperty from "./properties/scalar/TotalForceProperty";
 import ValenceBandOffsetProperty from "./properties/scalar/ValenceBandOffsetProperty";
@@ -48,7 +52,7 @@ export default class PropertyFactory {
     static getScalarPropertyNames(): PropertyName[];
     static getNonScalarPropertyNames(): PropertyName[];
     private static filterPropertyNames;
-    static createProperty(config: AnyProperty): AveragePotentialProfileProperty | BandGapsProperty | BandStructureProperty | ChargeDensityProfileProperty | ConvergenceElectronicProperty | ConvergenceIonicProperty | DensityOfStatesProperty | DielectricTensorProperty | FileContentProperty | FinalStructureProperty | HubbardUProperty | HubbardVNNProperty | HubbardVProperty | IsRelaxedProperty | JupyterNotebookEndpointProperty | PhononDispersionsProperty | PhononDOSProperty | PotentialProfileProperty | ReactionEnergyProfileProperty | WavefunctionAmplitudeProperty | WorkflowProperty | TotalEnergyContributionsProperty | FermiEnergyProperty | IonizationPotentialElementalProperty | PressureProperty | ReactionEnergyBarrierProperty | SurfaceEnergyProperty | TotalEnergyProperty | TotalForcesProperty | ValenceBandOffsetProperty | ZeroPointEnergyProperty | AtomicForcesProperty | MagneticMomentsProperty | StressTensorProperty;
+    static createProperty(config: AnyProperty): AveragePotentialProfileProperty | BandGapsProperty | BandStructureProperty | ChargeDensityProfileProperty | ConvergenceElectronicProperty | ConvergenceIonicProperty | DensityOfStatesProperty | DielectricTensorProperty | FileContentProperty | FinalStructureProperty | HubbardUProperty | HubbardVNNProperty | HubbardVProperty | IsRelaxedProperty | JupyterNotebookEndpointProperty | PhononDispersionsProperty | PhononDOSProperty | PotentialProfileProperty | ReactionEnergyProfileProperty | WavefunctionAmplitudeProperty | WorkflowProperty | TotalEnergyContributionsProperty | FermiEnergyProperty | HOMOEnergyProperty | 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

@@ -27,10 +27,14 @@ const WavefunctionAmplitudeProperty_1 = __importDefault(require("./properties/no
 const WorkflowProperty_1 = __importDefault(require("./properties/non-scalar/WorkflowProperty"));
 const TotalEnergyContributionsProperty_1 = __importDefault(require("./properties/object/TotalEnergyContributionsProperty"));
 const FermiEnergyProperty_1 = __importDefault(require("./properties/scalar/FermiEnergyProperty"));
+const HOMOEnergyProperty_1 = __importDefault(require("./properties/scalar/HOMOEnergyProperty"));
 const IonizationPotentialElementalProperty_1 = __importDefault(require("./properties/scalar/IonizationPotentialElementalProperty"));
+const LUMOEnergyProperty_1 = __importDefault(require("./properties/scalar/LUMOEnergyProperty"));
 const PressureProperty_1 = __importDefault(require("./properties/scalar/PressureProperty"));
 const ReactionEnergyBarrierProperty_1 = __importDefault(require("./properties/scalar/ReactionEnergyBarrierProperty"));
 const SurfaceEnergyProperty_1 = __importDefault(require("./properties/scalar/SurfaceEnergyProperty"));
+const ThermalCorrectionToEnergyProperty_1 = __importDefault(require("./properties/scalar/ThermalCorrectionToEnergyProperty"));
+const ThermalCorrectionToEnthalpyProperty_1 = __importDefault(require("./properties/scalar/ThermalCorrectionToEnthalpyProperty"));
 const TotalEnergyProperty_1 = __importDefault(require("./properties/scalar/TotalEnergyProperty"));
 const TotalForceProperty_1 = __importDefault(require("./properties/scalar/TotalForceProperty"));
 const ValenceBandOffsetProperty_1 = __importDefault(require("./properties/scalar/ValenceBandOffsetProperty"));
@@ -45,10 +49,14 @@ const PROPERTY_CLASS_MAP = {
     [PressureProperty_1.default.propertyName]: PressureProperty_1.default,
     [TotalForceProperty_1.default.propertyName]: TotalForceProperty_1.default,
     [TotalEnergyProperty_1.default.propertyName]: TotalEnergyProperty_1.default,
+    [HOMOEnergyProperty_1.default.propertyName]: HOMOEnergyProperty_1.default,
+    [LUMOEnergyProperty_1.default.propertyName]: LUMOEnergyProperty_1.default,
     [SurfaceEnergyProperty_1.default.propertyName]: SurfaceEnergyProperty_1.default,
     [ConvergenceElectronicProperty_1.default.propertyName]: ConvergenceElectronicProperty_1.default,
     [ConvergenceIonicProperty_1.default.propertyName]: ConvergenceIonicProperty_1.default,
     [FermiEnergyProperty_1.default.propertyName]: FermiEnergyProperty_1.default,
+    [ThermalCorrectionToEnergyProperty_1.default.propertyName]: ThermalCorrectionToEnergyProperty_1.default,
+    [ThermalCorrectionToEnthalpyProperty_1.default.propertyName]: ThermalCorrectionToEnthalpyProperty_1.default,
     [ZeroPointEnergyProperty_1.default.propertyName]: ZeroPointEnergyProperty_1.default,
     [TotalEnergyContributionsProperty_1.default.propertyName]: TotalEnergyContributionsProperty_1.default,
     [AtomicForcesProperty_1.default.propertyName]: AtomicForcesProperty_1.default,

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

@@ -0,0 +1,5 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { HOMOEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+export type HOMOEnergyPropertySchemaMixin = Omit<HOMOEnergyPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
+export type HOMOEnergyPropertyInMemoryEntity = InMemoryEntity & HOMOEnergyPropertySchemaMixin;
+export declare function hOMOEnergyPropertySchemaMixin(item: InMemoryEntity): void;

package/dist/js/generated/HOMOEnergyPropertySchemaMixin.js

@@ -0,0 +1,18 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.hOMOEnergyPropertySchemaMixin = hOMOEnergyPropertySchemaMixin;
+function hOMOEnergyPropertySchemaMixin(item) {
+    // @ts-expect-error
+    const properties = {
+        get name() {
+            return this.requiredProp("name");
+        },
+        get units() {
+            return this.requiredProp("units");
+        },
+        get value() {
+            return this.requiredProp("value");
+        },
+    };
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

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

@@ -0,0 +1,5 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { LUMOEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+export type LUMOEnergyPropertySchemaMixin = Omit<LUMOEnergyPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
+export type LUMOEnergyPropertyInMemoryEntity = InMemoryEntity & LUMOEnergyPropertySchemaMixin;
+export declare function lUMOEnergyPropertySchemaMixin(item: InMemoryEntity): void;

package/dist/js/generated/LUMOEnergyPropertySchemaMixin.js

@@ -0,0 +1,18 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.lUMOEnergyPropertySchemaMixin = lUMOEnergyPropertySchemaMixin;
+function lUMOEnergyPropertySchemaMixin(item) {
+    // @ts-expect-error
+    const properties = {
+        get name() {
+            return this.requiredProp("name");
+        },
+        get units() {
+            return this.requiredProp("units");
+        },
+        get value() {
+            return this.requiredProp("value");
+        },
+    };
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

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

@@ -0,0 +1,5 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { ThermalCorrectionToEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+export type ThermalCorrectionToEnergyPropertySchemaMixin = Omit<ThermalCorrectionToEnergyPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
+export type ThermalCorrectionToEnergyPropertyInMemoryEntity = InMemoryEntity & ThermalCorrectionToEnergyPropertySchemaMixin;
+export declare function thermalCorrectionToEnergyPropertySchemaMixin(item: InMemoryEntity): void;

package/dist/js/generated/ThermalCorrectionToEnergyPropertySchemaMixin.js

@@ -0,0 +1,18 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.thermalCorrectionToEnergyPropertySchemaMixin = thermalCorrectionToEnergyPropertySchemaMixin;
+function thermalCorrectionToEnergyPropertySchemaMixin(item) {
+    // @ts-expect-error
+    const properties = {
+        get name() {
+            return this.requiredProp("name");
+        },
+        get units() {
+            return this.requiredProp("units");
+        },
+        get value() {
+            return this.requiredProp("value");
+        },
+    };
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

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

@@ -0,0 +1,5 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { ThermalCorrectionToEnthalpyPropertySchema } from "@mat3ra/esse/dist/js/types";
+export type ThermalCorrectionToEnthalpyPropertySchemaMixin = Omit<ThermalCorrectionToEnthalpyPropertySchema, "_id" | "slug" | "systemName" | "schemaVersion">;
+export type ThermalCorrectionToEnthalpyPropertyInMemoryEntity = InMemoryEntity & ThermalCorrectionToEnthalpyPropertySchemaMixin;
+export declare function thermalCorrectionToEnthalpyPropertySchemaMixin(item: InMemoryEntity): void;

package/dist/js/generated/ThermalCorrectionToEnthalpyPropertySchemaMixin.js

@@ -0,0 +1,18 @@
+"use strict";
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.thermalCorrectionToEnthalpyPropertySchemaMixin = thermalCorrectionToEnthalpyPropertySchemaMixin;
+function thermalCorrectionToEnthalpyPropertySchemaMixin(item) {
+    // @ts-expect-error
+    const properties = {
+        get name() {
+            return this.requiredProp("name");
+        },
+        get units() {
+            return this.requiredProp("units");
+        },
+        get value() {
+            return this.requiredProp("value");
+        },
+    };
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

package/dist/js/generated/WorkflowPropertySchemaMixin.js

@@ -19,9 +19,18 @@ function workflowPropertySchemaMixin(item) {
         get isUsingDataset() {
             return this.prop("isUsingDataset");
         },
+        get isMultiMaterial() {
+            return this.prop("isMultiMaterial");
+        },
         get workflows() {
             return this.prop("workflows");
         },
+        get application() {
+            return this.prop("application");
+        },
+        get tags() {
+            return this.prop("tags");
+        },
         get isDefault() {
             return this.prop("isDefault");
         },

package/dist/js/index.d.ts

@@ -10,6 +10,10 @@ export { default as PressureProperty } from "./properties/scalar/PressurePropert
 export { default as ReactionEnergyBarrierProperty } from "./properties/scalar/ReactionEnergyBarrierProperty";
 export { default as SurfaceEnergyProperty } from "./properties/scalar/SurfaceEnergyProperty";
 export { default as TotalEnergyProperty } from "./properties/scalar/TotalEnergyProperty";
+export { default as HOMOEnergyProperty } from "./properties/scalar/HOMOEnergyProperty";
+export { default as LUMOEnergyProperty } from "./properties/scalar/LUMOEnergyProperty";
+export { default as ThermalCorrectionToEnergyProperty } from "./properties/scalar/ThermalCorrectionToEnergyProperty";
+export { default as ThermalCorrectionToEnthalpyProperty } from "./properties/scalar/ThermalCorrectionToEnthalpyProperty";
 export { default as BandStructureProperty } from "./properties/non-scalar/BandStructureProperty";
 export { default as ChargeDensityProfileProperty } from "./properties/non-scalar/ChargeDensityProfileProperty";
 export { default as PotentialProfileProperty } from "./properties/non-scalar/PotentialProfileProperty";

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.metaPropertyHolderMixin = exports.propertyHolderMixin = exports.protoPropertyHolderMixin = exports.ReactionEnergyProfileProperty = exports.WavefunctionAmplitudeProperty = exports.PotentialProfileProperty = exports.ChargeDensityProfileProperty = exports.BandStructureProperty = exports.TotalEnergyProperty = exports.SurfaceEnergyProperty = exports.ReactionEnergyBarrierProperty = exports.PressureProperty = exports.IsRelaxedProperty = exports.BandGapsProperty = exports.FinalStructureProperty = exports.PseudopotentialMetaProperty = exports.MetaProperty = exports.Property = exports.PropertyType = exports.PropertyName = exports.PropertyFactory = void 0;
+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.ReactionEnergyBarrierProperty = exports.PressureProperty = exports.IsRelaxedProperty = exports.BandGapsProperty = exports.FinalStructureProperty = 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");
@@ -43,6 +43,14 @@ var SurfaceEnergyProperty_1 = require("./properties/scalar/SurfaceEnergyProperty
 Object.defineProperty(exports, "SurfaceEnergyProperty", { enumerable: true, get: function () { return __importDefault(SurfaceEnergyProperty_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");
+Object.defineProperty(exports, "HOMOEnergyProperty", { enumerable: true, get: function () { return __importDefault(HOMOEnergyProperty_1).default; } });
+var LUMOEnergyProperty_1 = require("./properties/scalar/LUMOEnergyProperty");
+Object.defineProperty(exports, "LUMOEnergyProperty", { enumerable: true, get: function () { return __importDefault(LUMOEnergyProperty_1).default; } });
+var ThermalCorrectionToEnergyProperty_1 = require("./properties/scalar/ThermalCorrectionToEnergyProperty");
+Object.defineProperty(exports, "ThermalCorrectionToEnergyProperty", { enumerable: true, get: function () { return __importDefault(ThermalCorrectionToEnergyProperty_1).default; } });
+var ThermalCorrectionToEnthalpyProperty_1 = require("./properties/scalar/ThermalCorrectionToEnthalpyProperty");
+Object.defineProperty(exports, "ThermalCorrectionToEnthalpyProperty", { enumerable: true, get: function () { return __importDefault(ThermalCorrectionToEnthalpyProperty_1).default; } });
 var BandStructureProperty_1 = require("./properties/non-scalar/BandStructureProperty");
 Object.defineProperty(exports, "BandStructureProperty", { enumerable: true, get: function () { return __importDefault(BandStructureProperty_1).default; } });
 var ChargeDensityProfileProperty_1 = require("./properties/non-scalar/ChargeDensityProfileProperty");

package/dist/js/properties/non-scalar/BandGapsProperty.d.ts

@@ -20,7 +20,7 @@ export default class BandGapsProperty extends BandGapsProperty_base implements S
             eigenvalueValence?: number;
             spin?: number;
             type?: "direct" | "indirect" | undefined;
-            units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+            units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
             value?: number | undefined;
         };
         slug: string;
@@ -33,7 +33,7 @@ export default class BandGapsProperty extends BandGapsProperty_base implements S
             eigenvalueValence?: number;
             spin?: number;
             type: "direct" | "indirect";
-            units?: "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
+            units?: "kcal/mol" | "kJ/mol" | "eV" | "J/mol" | "hartree" | "cm-1" | "Ry" | "eV/atom";
             value: number;
         }[];
         eigenvalues?: {

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

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

package/dist/js/properties/scalar/HOMOEnergyProperty.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 HOMOEnergyPropertySchemaMixin_1 = require("../../generated/HOMOEnergyPropertySchemaMixin");
+const Property_1 = __importDefault(require("../../Property"));
+const settings_1 = require("../../settings");
+class HOMOEnergyProperty extends Property_1.default {
+    constructor(config) {
+        super({ ...config, name: HOMOEnergyProperty.propertyName });
+    }
+}
+HOMOEnergyProperty.isRefined = true;
+HOMOEnergyProperty.propertyName = settings_1.PropertyName.homo_energy;
+HOMOEnergyProperty.propertyType = settings_1.PropertyType.scalar;
+exports.default = HOMOEnergyProperty;
+(0, HOMOEnergyPropertySchemaMixin_1.hOMOEnergyPropertySchemaMixin)(HOMOEnergyProperty.prototype);

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

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

package/dist/js/properties/scalar/LUMOEnergyProperty.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 LUMOEnergyPropertySchemaMixin_1 = require("../../generated/LUMOEnergyPropertySchemaMixin");
+const Property_1 = __importDefault(require("../../Property"));
+const settings_1 = require("../../settings");
+class LUMOEnergyProperty extends Property_1.default {
+    constructor(config) {
+        super({ ...config, name: LUMOEnergyProperty.propertyName });
+    }
+}
+LUMOEnergyProperty.isRefined = true;
+LUMOEnergyProperty.propertyName = settings_1.PropertyName.lumo_energy;
+LUMOEnergyProperty.propertyType = settings_1.PropertyType.scalar;
+exports.default = LUMOEnergyProperty;
+(0, LUMOEnergyPropertySchemaMixin_1.lUMOEnergyPropertySchemaMixin)(LUMOEnergyProperty.prototype);

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

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

package/dist/js/properties/scalar/ThermalCorrectionToEnergyProperty.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 ThermalCorrectionToEnergyPropertySchemaMixin_1 = require("../../generated/ThermalCorrectionToEnergyPropertySchemaMixin");
+const Property_1 = __importDefault(require("../../Property"));
+const settings_1 = require("../../settings");
+class ThermalCorrectionToEnergyProperty extends Property_1.default {
+    constructor(config) {
+        super({ ...config, name: ThermalCorrectionToEnergyProperty.propertyName });
+    }
+}
+ThermalCorrectionToEnergyProperty.propertyType = settings_1.PropertyType.scalar;
+ThermalCorrectionToEnergyProperty.propertyName = settings_1.PropertyName.thermal_correction_to_energy;
+ThermalCorrectionToEnergyProperty.isRefined = true;
+exports.default = ThermalCorrectionToEnergyProperty;
+(0, ThermalCorrectionToEnergyPropertySchemaMixin_1.thermalCorrectionToEnergyPropertySchemaMixin)(ThermalCorrectionToEnergyProperty.prototype);

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

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

package/dist/js/properties/scalar/ThermalCorrectionToEnthalpyProperty.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 ThermalCorrectionToEnthalpyPropertySchemaMixin_1 = require("../../generated/ThermalCorrectionToEnthalpyPropertySchemaMixin");
+const Property_1 = __importDefault(require("../../Property"));
+const settings_1 = require("../../settings");
+class ThermalCorrectionToEnthalpyProperty extends Property_1.default {
+    constructor(config) {
+        super({ ...config, name: ThermalCorrectionToEnthalpyProperty.propertyName });
+    }
+}
+ThermalCorrectionToEnthalpyProperty.propertyType = settings_1.PropertyType.scalar;
+ThermalCorrectionToEnthalpyProperty.propertyName = settings_1.PropertyName.thermal_correction_to_enthalpy;
+ThermalCorrectionToEnthalpyProperty.isRefined = true;
+exports.default = ThermalCorrectionToEnthalpyProperty;
+(0, ThermalCorrectionToEnthalpyPropertySchemaMixin_1.thermalCorrectionToEnthalpyPropertySchemaMixin)(ThermalCorrectionToEnthalpyProperty.prototype);

package/dist/js/settings.d.ts

@@ -12,11 +12,15 @@ export declare enum PropertyName {
     pressure = "pressure",
     total_force = "total_force",
     total_energy = "total_energy",
+    homo_energy = "homo_energy",
+    lumo_energy = "lumo_energy",
     surface_energy = "surface_energy",
     convergence_electronic = "convergence_electronic",
     convergence_ionic = "convergence_ionic",
     fermi_energy = "fermi_energy",
     zero_point_energy = "zero_point_energy",
+    thermal_correction_to_energy = "thermal_correction_to_energy",
+    thermal_correction_to_enthalpy = "thermal_correction_to_enthalpy",
     total_energy_contributions = "total_energy_contributions",
     atomic_forces = "atomic_forces",
     atomic_constraints = "atomic_constraints",

package/dist/js/settings.js

@@ -20,11 +20,15 @@ var PropertyName;
     PropertyName["pressure"] = "pressure";
     PropertyName["total_force"] = "total_force";
     PropertyName["total_energy"] = "total_energy";
+    PropertyName["homo_energy"] = "homo_energy";
+    PropertyName["lumo_energy"] = "lumo_energy";
     PropertyName["surface_energy"] = "surface_energy";
     PropertyName["convergence_electronic"] = "convergence_electronic";
     PropertyName["convergence_ionic"] = "convergence_ionic";
     PropertyName["fermi_energy"] = "fermi_energy";
     PropertyName["zero_point_energy"] = "zero_point_energy";
+    PropertyName["thermal_correction_to_energy"] = "thermal_correction_to_energy";
+    PropertyName["thermal_correction_to_enthalpy"] = "thermal_correction_to_enthalpy";
     PropertyName["total_energy_contributions"] = "total_energy_contributions";
     PropertyName["atomic_forces"] = "atomic_forces";
     PropertyName["atomic_constraints"] = "atomic_constraints";

package/package.json

@@ -1,6 +1,6 @@
 {
     "name": "@mat3ra/prode",
-    "version": "2026.3.14-0",
+    "version": "2026.3.30-0",
     "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": "2025.10.8-0",
-        "@mat3ra/esse": "2026.1.23-0",
+        "@mat3ra/esse": "2026.3.29-0",
         "@mat3ra/made": "2025.10.7-0",
         "@mat3ra/tsconfig": "2024.6.3-0",
         "@typescript-eslint/eslint-plugin": "^5.9.1",

package/src/js/PropertyFactory.ts

@@ -30,10 +30,14 @@ import WavefunctionAmplitudeProperty from "./properties/non-scalar/WavefunctionA
 import WorkflowProperty from "./properties/non-scalar/WorkflowProperty";
 import TotalEnergyContributionsProperty from "./properties/object/TotalEnergyContributionsProperty";
 import FermiEnergyProperty from "./properties/scalar/FermiEnergyProperty";
+import HOMOEnergyProperty from "./properties/scalar/HOMOEnergyProperty";
 import IonizationPotentialElementalProperty from "./properties/scalar/IonizationPotentialElementalProperty";
+import LUMOEnergyProperty from "./properties/scalar/LUMOEnergyProperty";
 import PressureProperty from "./properties/scalar/PressureProperty";
 import ReactionEnergyBarrierProperty from "./properties/scalar/ReactionEnergyBarrierProperty";
 import SurfaceEnergyProperty from "./properties/scalar/SurfaceEnergyProperty";
+import ThermalCorrectionToEnergyProperty from "./properties/scalar/ThermalCorrectionToEnergyProperty";
+import ThermalCorrectionToEnthalpyProperty from "./properties/scalar/ThermalCorrectionToEnthalpyProperty";
 import TotalEnergyProperty from "./properties/scalar/TotalEnergyProperty";
 import TotalForcesProperty from "./properties/scalar/TotalForceProperty";
 import ValenceBandOffsetProperty from "./properties/scalar/ValenceBandOffsetProperty";
@@ -55,10 +59,14 @@ type PropertyClassMap = {
         | Constructor<PressureProperty>
         | Constructor<TotalForcesProperty>
         | Constructor<TotalEnergyProperty>
+        | Constructor<HOMOEnergyProperty>
+        | Constructor<LUMOEnergyProperty>
         | Constructor<SurfaceEnergyProperty>
         | Constructor<ConvergenceElectronicProperty>
         | Constructor<ConvergenceIonicProperty>
         | Constructor<FermiEnergyProperty>
+        | Constructor<ThermalCorrectionToEnergyProperty>
+        | Constructor<ThermalCorrectionToEnthalpyProperty>
         | Constructor<ZeroPointEnergyProperty>
         | Constructor<TotalEnergyContributionsProperty>
         | Constructor<AtomicForcesProperty>
@@ -102,10 +110,14 @@ const PROPERTY_CLASS_MAP: PropertyClassMap = {
     [PressureProperty.propertyName]: PressureProperty,
     [TotalForcesProperty.propertyName]: TotalForcesProperty,
     [TotalEnergyProperty.propertyName]: TotalEnergyProperty,
+    [HOMOEnergyProperty.propertyName]: HOMOEnergyProperty,
+    [LUMOEnergyProperty.propertyName]: LUMOEnergyProperty,
     [SurfaceEnergyProperty.propertyName]: SurfaceEnergyProperty,
     [ConvergenceElectronicProperty.propertyName]: ConvergenceElectronicProperty,
     [ConvergenceIonicProperty.propertyName]: ConvergenceIonicProperty,
     [FermiEnergyProperty.propertyName]: FermiEnergyProperty,
+    [ThermalCorrectionToEnergyProperty.propertyName]: ThermalCorrectionToEnergyProperty,
+    [ThermalCorrectionToEnthalpyProperty.propertyName]: ThermalCorrectionToEnthalpyProperty,
     [ZeroPointEnergyProperty.propertyName]: ZeroPointEnergyProperty,
     [TotalEnergyContributionsProperty.propertyName]: TotalEnergyContributionsProperty,
     [AtomicForcesProperty.propertyName]: AtomicForcesProperty,

package/src/js/generated/HOMOEnergyPropertySchemaMixin.ts

@@ -0,0 +1,26 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { HOMOEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+export type HOMOEnergyPropertySchemaMixin = Omit<
+    HOMOEnergyPropertySchema,
+    "_id" | "slug" | "systemName" | "schemaVersion"
+>;
+
+export type HOMOEnergyPropertyInMemoryEntity = InMemoryEntity & HOMOEnergyPropertySchemaMixin;
+
+export function hOMOEnergyPropertySchemaMixin(item: InMemoryEntity) {
+    // @ts-expect-error
+    const properties: InMemoryEntity & HOMOEnergyPropertySchemaMixin = {
+        get name() {
+            return this.requiredProp<HOMOEnergyPropertySchema["name"]>("name");
+        },
+        get units() {
+            return this.requiredProp<HOMOEnergyPropertySchema["units"]>("units");
+        },
+        get value() {
+            return this.requiredProp<HOMOEnergyPropertySchema["value"]>("value");
+        },
+    };
+
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

package/src/js/generated/LUMOEnergyPropertySchemaMixin.ts

@@ -0,0 +1,26 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { LUMOEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+export type LUMOEnergyPropertySchemaMixin = Omit<
+    LUMOEnergyPropertySchema,
+    "_id" | "slug" | "systemName" | "schemaVersion"
+>;
+
+export type LUMOEnergyPropertyInMemoryEntity = InMemoryEntity & LUMOEnergyPropertySchemaMixin;
+
+export function lUMOEnergyPropertySchemaMixin(item: InMemoryEntity) {
+    // @ts-expect-error
+    const properties: InMemoryEntity & LUMOEnergyPropertySchemaMixin = {
+        get name() {
+            return this.requiredProp<LUMOEnergyPropertySchema["name"]>("name");
+        },
+        get units() {
+            return this.requiredProp<LUMOEnergyPropertySchema["units"]>("units");
+        },
+        get value() {
+            return this.requiredProp<LUMOEnergyPropertySchema["value"]>("value");
+        },
+    };
+
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

package/src/js/generated/ThermalCorrectionToEnergyPropertySchemaMixin.ts

@@ -0,0 +1,27 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { ThermalCorrectionToEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+export type ThermalCorrectionToEnergyPropertySchemaMixin = Omit<
+    ThermalCorrectionToEnergyPropertySchema,
+    "_id" | "slug" | "systemName" | "schemaVersion"
+>;
+
+export type ThermalCorrectionToEnergyPropertyInMemoryEntity = InMemoryEntity &
+    ThermalCorrectionToEnergyPropertySchemaMixin;
+
+export function thermalCorrectionToEnergyPropertySchemaMixin(item: InMemoryEntity) {
+    // @ts-expect-error
+    const properties: InMemoryEntity & ThermalCorrectionToEnergyPropertySchemaMixin = {
+        get name() {
+            return this.requiredProp<ThermalCorrectionToEnergyPropertySchema["name"]>("name");
+        },
+        get units() {
+            return this.requiredProp<ThermalCorrectionToEnergyPropertySchema["units"]>("units");
+        },
+        get value() {
+            return this.requiredProp<ThermalCorrectionToEnergyPropertySchema["value"]>("value");
+        },
+    };
+
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

package/src/js/generated/ThermalCorrectionToEnthalpyPropertySchemaMixin.ts

@@ -0,0 +1,27 @@
+import type { InMemoryEntity } from "@mat3ra/code/dist/js/entity";
+import type { ThermalCorrectionToEnthalpyPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+export type ThermalCorrectionToEnthalpyPropertySchemaMixin = Omit<
+    ThermalCorrectionToEnthalpyPropertySchema,
+    "_id" | "slug" | "systemName" | "schemaVersion"
+>;
+
+export type ThermalCorrectionToEnthalpyPropertyInMemoryEntity = InMemoryEntity &
+    ThermalCorrectionToEnthalpyPropertySchemaMixin;
+
+export function thermalCorrectionToEnthalpyPropertySchemaMixin(item: InMemoryEntity) {
+    // @ts-expect-error
+    const properties: InMemoryEntity & ThermalCorrectionToEnthalpyPropertySchemaMixin = {
+        get name() {
+            return this.requiredProp<ThermalCorrectionToEnthalpyPropertySchema["name"]>("name");
+        },
+        get units() {
+            return this.requiredProp<ThermalCorrectionToEnthalpyPropertySchema["units"]>("units");
+        },
+        get value() {
+            return this.requiredProp<ThermalCorrectionToEnthalpyPropertySchema["value"]>("value");
+        },
+    };
+
+    Object.defineProperties(item, Object.getOwnPropertyDescriptors(properties));
+}

package/src/js/generated/WorkflowPropertySchemaMixin.ts

@@ -26,9 +26,18 @@ export function workflowPropertySchemaMixin(item: InMemoryEntity) {
         get isUsingDataset() {
             return this.prop<WorkflowPropertySchema["isUsingDataset"]>("isUsingDataset");
         },
+        get isMultiMaterial() {
+            return this.prop<WorkflowPropertySchema["isMultiMaterial"]>("isMultiMaterial");
+        },
         get workflows() {
             return this.prop<WorkflowPropertySchema["workflows"]>("workflows");
         },
+        get application() {
+            return this.prop<WorkflowPropertySchema["application"]>("application");
+        },
+        get tags() {
+            return this.prop<WorkflowPropertySchema["tags"]>("tags");
+        },
         get isDefault() {
             return this.prop<WorkflowPropertySchema["isDefault"]>("isDefault");
         },

package/src/js/index.ts

@@ -10,6 +10,10 @@ export { default as PressureProperty } from "./properties/scalar/PressurePropert
 export { default as ReactionEnergyBarrierProperty } from "./properties/scalar/ReactionEnergyBarrierProperty";
 export { default as SurfaceEnergyProperty } from "./properties/scalar/SurfaceEnergyProperty";
 export { default as TotalEnergyProperty } from "./properties/scalar/TotalEnergyProperty";
+export { default as HOMOEnergyProperty } from "./properties/scalar/HOMOEnergyProperty";
+export { default as LUMOEnergyProperty } from "./properties/scalar/LUMOEnergyProperty";
+export { default as ThermalCorrectionToEnergyProperty } from "./properties/scalar/ThermalCorrectionToEnergyProperty";
+export { default as ThermalCorrectionToEnthalpyProperty } from "./properties/scalar/ThermalCorrectionToEnthalpyProperty";
 export { default as BandStructureProperty } from "./properties/non-scalar/BandStructureProperty";
 export { default as ChargeDensityProfileProperty } from "./properties/non-scalar/ChargeDensityProfileProperty";
 export { default as PotentialProfileProperty } from "./properties/non-scalar/PotentialProfileProperty";

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

@@ -0,0 +1,28 @@
+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { HOMOEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    HOMOEnergyPropertySchemaMixin,
+    // The generated helper lowercases only the first character of leading acronyms.
+    hOMOEnergyPropertySchemaMixin as homoEnergyPropertySchemaMixin,
+} from "../../generated/HOMOEnergyPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = HOMOEnergyPropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<HOMOEnergyPropertySchemaMixin>;
+
+export default class HOMOEnergyProperty extends (Property as Base) implements Schema {
+    static readonly isRefined = true;
+
+    static readonly propertyName = PropertyName.homo_energy;
+
+    static readonly propertyType = PropertyType.scalar;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: HOMOEnergyProperty.propertyName });
+    }
+}
+
+homoEnergyPropertySchemaMixin(HOMOEnergyProperty.prototype);

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

@@ -0,0 +1,28 @@
+import type { Constructor } from "@mat3ra/code/dist/js/utils/types";
+import type { LUMOEnergyPropertySchema } from "@mat3ra/esse/dist/js/types";
+
+import {
+    LUMOEnergyPropertySchemaMixin,
+    // The generated helper lowercases only the first character of leading acronyms.
+    lUMOEnergyPropertySchemaMixin as lumoEnergyPropertySchemaMixin,
+} from "../../generated/LUMOEnergyPropertySchemaMixin";
+import Property from "../../Property";
+import { PropertyName, PropertyType } from "../../settings";
+
+type Schema = LUMOEnergyPropertySchema;
+
+type Base = typeof Property<Schema> & Constructor<LUMOEnergyPropertySchemaMixin>;
+
+export default class LUMOEnergyProperty extends (Property as Base) implements Schema {
+    static readonly isRefined = true;
+
+    static readonly propertyName = PropertyName.lumo_energy;
+
+    static readonly propertyType = PropertyType.scalar;
+
+    constructor(config: Omit<Schema, "name">) {
+        super({ ...config, name: LUMOEnergyProperty.propertyName });
+    }
+}
+
+lumoEnergyPropertySchemaMixin(LUMOEnergyProperty.prototype);

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

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

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

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

package/src/js/settings.ts

@@ -16,11 +16,15 @@ export enum PropertyName {
     pressure = "pressure",
     total_force = "total_force",
     total_energy = "total_energy",
+    homo_energy = "homo_energy",
+    lumo_energy = "lumo_energy",
     surface_energy = "surface_energy",
     convergence_electronic = "convergence_electronic",
     convergence_ionic = "convergence_ionic",
     fermi_energy = "fermi_energy",
     zero_point_energy = "zero_point_energy",
+    thermal_correction_to_energy = "thermal_correction_to_energy",
+    thermal_correction_to_enthalpy = "thermal_correction_to_enthalpy",
     total_energy_contributions = "total_energy_contributions",
     atomic_forces = "atomic_forces",
     atomic_constraints = "atomic_constraints",