@mat3ra/prode 2026.2.25-0 → 2026.3.25-0

package/dist/js/PropertyFactory.d.ts

@@ -23,7 +23,9 @@ 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";
@@ -48,7 +50,7 @@ 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 | TotalEnergyProperty | TotalForcesProperty | ValenceBandOffsetProperty | ZeroPointEnergyProperty | AtomicForcesProperty | MagneticMomentsProperty | StressTensorProperty;
     static createMetaProperty(config: AnyMetaProperty): MetaProperty;
     static createProtoProperty(config: AnyProtoProperty): AtomicConstraintsProperty | BoundaryConditionsProperty;
 }

package/dist/js/PropertyFactory.js

@@ -27,7 +27,9 @@ 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"));
@@ -45,6 +47,8 @@ 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,

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/index.d.ts

@@ -10,6 +10,8 @@ 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 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.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 +43,10 @@ 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 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/BandStructureProperty.d.ts

@@ -27,7 +27,7 @@ export declare class BandStructureConfig extends HighChartsConfig {
     });
     cleanXDataArray(rawData?: XDataArray): XDataArrayNested;
     calculatePointsDistance(listOfPoints?: XDataArrayNested): number[];
-    findSymmetryPointIndex(xDataArray: XDataArrayNested, point: number[]): number;
+    findSymmetryPointIndex(xDataArray: XDataArrayNested, point: number[], tolerance?: number): number;
     plotXLines(): PlotLines[];
     plotXLineAtPoint({ point, distance }: {
         point: string;

package/dist/js/properties/non-scalar/BandStructureProperty.js

@@ -53,8 +53,8 @@ class BandStructureConfig extends highcharts_1.HighChartsConfig {
         });
     }
     // find index of a point inside an array of points
-    findSymmetryPointIndex(xDataArray, point) {
-        return xDataArray.findIndex((p) => math_1.math.vDist(p, point) === 0);
+    findSymmetryPointIndex(xDataArray, point, tolerance = 10 ** -exports._POINT_COORDINATES_PRECISION_) {
+        return xDataArray.findIndex((p) => math_1.math.vEqualWithTolerance(p, point, tolerance));
     }
     // create config for vertical lines at high symmetry points
     plotXLines() {

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/settings.d.ts

@@ -12,6 +12,8 @@ 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",

package/dist/js/settings.js

@@ -20,6 +20,8 @@ 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";

package/package.json

@@ -1,6 +1,6 @@
 {
     "name": "@mat3ra/prode",
-    "version": "2026.2.25-0",
+    "version": "2026.3.25-0",
     "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": "2026.3.25-0",
         "@mat3ra/made": "2025.10.7-0",
         "@mat3ra/tsconfig": "2024.6.3-0",
         "@typescript-eslint/eslint-plugin": "^5.9.1",

package/src/js/PropertyFactory.ts

@@ -30,7 +30,9 @@ 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";
@@ -55,6 +57,8 @@ type PropertyClassMap = {
         | Constructor<PressureProperty>
         | Constructor<TotalForcesProperty>
         | Constructor<TotalEnergyProperty>
+        | Constructor<HOMOEnergyProperty>
+        | Constructor<LUMOEnergyProperty>
         | Constructor<SurfaceEnergyProperty>
         | Constructor<ConvergenceElectronicProperty>
         | Constructor<ConvergenceIonicProperty>
@@ -102,6 +106,8 @@ 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,

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/index.ts

@@ -10,6 +10,8 @@ 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 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/non-scalar/BandStructureProperty.ts

@@ -92,8 +92,12 @@ export class BandStructureConfig extends HighChartsConfig {
     }
 
     // find index of a point inside an array of points
-    findSymmetryPointIndex(xDataArray: XDataArrayNested, point: number[]) {
-        return xDataArray.findIndex((p) => codeJSMath.vDist(p, point) === 0);
+    findSymmetryPointIndex(
+        xDataArray: XDataArrayNested,
+        point: number[],
+        tolerance = 10 ** -_POINT_COORDINATES_PRECISION_,
+    ): number {
+        return xDataArray.findIndex((p) => codeJSMath.vEqualWithTolerance(p, point, tolerance));
     }
 
     // create config for vertical lines at high symmetry points

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/settings.ts

@@ -16,6 +16,8 @@ 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",