@holoscript/core 8.0.5 → 8.0.7

package/dist/{src-HCCCSYP7.js → src-J6CM4AUR.js}

@@ -120,7 +120,9 @@ var init_ibm_quantum = __esm({
       getField(name) {
         if (name === "total_energy") {
           if (this.lastEnergy === null) {
-            throw new Error("[ibm-quantum] No energy computed yet. Call computeEnergy or runVQE first.");
+            throw new Error(
+              "[ibm-quantum] No energy computed yet. Call computeEnergy or runVQE first."
+            );
           }
           return new Float64Array([this.lastEnergy]);
         }
@@ -770,7 +772,13 @@ var Psi4Backend = class {
   // ── Capability implementations ────────────────────────────────────────
   async computeEnergy(molecule) {
     const startTime = performance.now();
-    const input = generatePsi4Input(molecule, this.qmConfig.method, this.qmConfig.basis, "energy", this.qmConfig);
+    const input = generatePsi4Input(
+      molecule,
+      this.qmConfig.method,
+      this.qmConfig.basis,
+      "energy",
+      this.qmConfig
+    );
     const raw = await this.runPsi4(input);
     const wallTime = (performance.now() - startTime) / 1e3;
     const result = {
@@ -787,7 +795,13 @@ var Psi4Backend = class {
   }
   async optimizeGeometry(molecule) {
     const startTime = performance.now();
-    const input = generatePsi4Input(molecule, this.qmConfig.method, this.qmConfig.basis, "optimize", this.qmConfig);
+    const input = generatePsi4Input(
+      molecule,
+      this.qmConfig.method,
+      this.qmConfig.basis,
+      "optimize",
+      this.qmConfig
+    );
     const raw = await this.runPsi4(input);
     const wallTime = (performance.now() - startTime) / 1e3;
     return {
@@ -803,7 +817,13 @@ var Psi4Backend = class {
   }
   async computeVibrations(molecule) {
     const startTime = performance.now();
-    const input = generatePsi4Input(molecule, this.qmConfig.method, this.qmConfig.basis, "frequency", this.qmConfig);
+    const input = generatePsi4Input(
+      molecule,
+      this.qmConfig.method,
+      this.qmConfig.basis,
+      "frequency",
+      this.qmConfig
+    );
     const raw = await this.runPsi4(input);
     const wallTime = (performance.now() - startTime) / 1e3;
     return {
@@ -837,7 +857,9 @@ var Psi4Backend = class {
     };
   }
   async computeBandStructure() {
-    throw new Error("[qm-bridge] Psi4 does not support periodic/band structure calculations. Use quantum-espresso backend.");
+    throw new Error(
+      "[qm-bridge] Psi4 does not support periodic/band structure calculations. Use quantum-espresso backend."
+    );
   }
   async computeDipoleMoment(molecule) {
     const energyResult = await this.computeEnergy(molecule);
@@ -845,12 +867,20 @@ var Psi4Backend = class {
     return this.lastDipole;
   }
   async computeDftMaterials() {
-    throw new Error("[qm-bridge] Psi4 does not support periodic/materials DFT. Use quantum-espresso backend.");
+    throw new Error(
+      "[qm-bridge] Psi4 does not support periodic/materials DFT. Use quantum-espresso backend."
+    );
   }
   async computeNmrSpectrum(molecule) {
     requireCapability("psi4", "nmrGiao");
     const startTime = performance.now();
-    const input = generatePsi4Input(molecule, this.qmConfig.method, this.qmConfig.basis, "nmr", this.qmConfig);
+    const input = generatePsi4Input(
+      molecule,
+      this.qmConfig.method,
+      this.qmConfig.basis,
+      "nmr",
+      this.qmConfig
+    );
     const raw = await this.runPsi4(input);
     const wallTime = (performance.now() - startTime) / 1e3;
     const tmsReference = {
@@ -875,7 +905,9 @@ var Psi4Backend = class {
     };
   }
   async computeSemiEmpiricalEnergy() {
-    throw new Error("[qm-bridge] Psi4 does not support semi-empirical methods. Use tblite backend.");
+    throw new Error(
+      "[qm-bridge] Psi4 does not support semi-empirical methods. Use tblite backend."
+    );
   }
   async computeTransitionState(reactant, product, numImages = 7) {
     requireCapability("psi4", "transitionStates");
@@ -883,7 +915,9 @@ var Psi4Backend = class {
     const midpointAtoms = reactant.atoms.map((a, i) => {
       const productAtom = product.atoms[i];
       if (!productAtom) {
-        throw new Error("[qm-bridge] Reactant/product atom counts must match for transition state search.");
+        throw new Error(
+          "[qm-bridge] Reactant/product atom counts must match for transition state search."
+        );
       }
       return {
         symbol: a.symbol,
@@ -1114,13 +1148,19 @@ var QuantumEspressoBackend = class {
   }
   // ── Capability implementations ────────────────────────────────────────
   async computeEnergy(_molecule) {
-    throw new Error("[qm-bridge] Quantum ESPRESSO does not support molecular energy calculations. Use psi4 backend.");
+    throw new Error(
+      "[qm-bridge] Quantum ESPRESSO does not support molecular energy calculations. Use psi4 backend."
+    );
   }
   async optimizeGeometry(_molecule) {
-    throw new Error("[qm-bridge] Quantum ESPRESSO does not support molecular geometry optimization. Use psi4 backend.");
+    throw new Error(
+      "[qm-bridge] Quantum ESPRESSO does not support molecular geometry optimization. Use psi4 backend."
+    );
   }
   async computeVibrations(_molecule) {
-    throw new Error("[qm-bridge] Quantum ESPRESSO does not support molecular vibrational analysis. Use psi4 backend.");
+    throw new Error(
+      "[qm-bridge] Quantum ESPRESSO does not support molecular vibrational analysis. Use psi4 backend."
+    );
   }
   async computeChargeDensity() {
     throw new Error("[qm-bridge] Quantum ESPRESSO charge density not yet implemented (stage 2).");
@@ -1128,7 +1168,11 @@ var QuantumEspressoBackend = class {
   async computeBandStructure(crystal) {
     requireCapability("quantum-espresso", "periodic");
     const startTime = performance.now();
-    const input = generateQeScfInput(crystal, this.qmConfig.method, this.qmConfig);
+    const input = generateQeScfInput(
+      crystal,
+      this.qmConfig.method,
+      this.qmConfig
+    );
     const raw = await this.runQe(input);
     const wallTime = (performance.now() - startTime) / 1e3;
     const result = {
@@ -1144,12 +1188,18 @@ var QuantumEspressoBackend = class {
     return result;
   }
   async computeDipoleMoment() {
-    throw new Error("[qm-bridge] Quantum ESPRESSO does not support molecular dipole calculations. Use psi4 backend.");
+    throw new Error(
+      "[qm-bridge] Quantum ESPRESSO does not support molecular dipole calculations. Use psi4 backend."
+    );
   }
   async computeDftMaterials(crystal) {
     requireCapability("quantum-espresso", "periodic");
     const startTime = performance.now();
-    const scfInput = generateQeScfInput(crystal, this.qmConfig.method, this.qmConfig);
+    const scfInput = generateQeScfInput(
+      crystal,
+      this.qmConfig.method,
+      this.qmConfig
+    );
     const raw = await this.runQe(scfInput);
     const wallTimeEnergy = (performance.now() - startTime) / 1e3;
     const bandResult = await this.computeBandStructure(crystal);
@@ -1169,10 +1219,14 @@ var QuantumEspressoBackend = class {
     throw new Error("[qm-bridge] Quantum ESPRESSO does not support NMR GIAO. Use psi4 backend.");
   }
   async computeSemiEmpiricalEnergy() {
-    throw new Error("[qm-bridge] Quantum ESPRESSO does not support semi-empirical. Use tblite backend.");
+    throw new Error(
+      "[qm-bridge] Quantum ESPRESSO does not support semi-empirical. Use tblite backend."
+    );
   }
   async computeTransitionState() {
-    throw new Error("[qm-bridge] Quantum ESPRESSO does not support NEB/TS search. Use psi4 backend.");
+    throw new Error(
+      "[qm-bridge] Quantum ESPRESSO does not support NEB/TS search. Use psi4 backend."
+    );
   }
   async computeQmMm() {
     throw new Error("[qm-bridge] Quantum ESPRESSO does not support QM/MM. Use psi4 backend.");
@@ -1252,20 +1306,26 @@ var TBLiteBackend = class {
     };
   }
   async computeVibrations() {
-    throw new Error("[qm-bridge] TBLite vibrational analysis not yet implemented (stage 2). Use psi4 for accurate frequencies.");
+    throw new Error(
+      "[qm-bridge] TBLite vibrational analysis not yet implemented (stage 2). Use psi4 for accurate frequencies."
+    );
   }
   async computeChargeDensity() {
     throw new Error("[qm-bridge] TBLite does not support charge density grids. Use psi4 backend.");
   }
   async computeBandStructure() {
-    throw new Error("[qm-bridge] TBLite does not support band structure calculations. Use quantum-espresso backend.");
+    throw new Error(
+      "[qm-bridge] TBLite does not support band structure calculations. Use quantum-espresso backend."
+    );
   }
   async computeDipoleMoment(molecule) {
     const result = await this.computeSemiEmpiricalEnergy(molecule);
     return result.dipoleMoment ?? [0, 0, 0];
   }
   async computeDftMaterials() {
-    throw new Error("[qm-bridge] TBLite does not support periodic/materials DFT. Use quantum-espresso backend.");
+    throw new Error(
+      "[qm-bridge] TBLite does not support periodic/materials DFT. Use quantum-espresso backend."
+    );
   }
   async computeNmrSpectrum() {
     throw new Error("[qm-bridge] TBLite does not support NMR GIAO. Use psi4 backend.");
@@ -1648,7 +1708,9 @@ var PySCFBackend = class {
     return { energy: energyResult, bandStructure: bandResult };
   }
   async computeNmrSpectrum() {
-    throw new Error("[pyscf] NMR GIAO is not a primary target for PySCF backend. Use psi4 backend.");
+    throw new Error(
+      "[pyscf] NMR GIAO is not a primary target for PySCF backend. Use psi4 backend."
+    );
   }
   async computeSemiEmpiricalEnergy() {
     throw new Error("[pyscf] PySCF does not support semi-empirical methods. Use tblite backend.");
@@ -1659,7 +1721,9 @@ var PySCFBackend = class {
     const midpointAtoms = reactant.atoms.map((a, i) => {
       const productAtom = product.atoms[i];
       if (!productAtom) {
-        throw new Error("[pyscf] Reactant/product atom counts must match for transition state search.");
+        throw new Error(
+          "[pyscf] Reactant/product atom counts must match for transition state search."
+        );
       }
       return {
         symbol: a.symbol,
@@ -1772,11 +1836,8 @@ var PySCFBackend = class {
       totalDos: raw.dos_total ?? [],
       projectedDos: raw.dos_projected,
       fermiEnergy: raw.fermi_energy ?? 0,
-      energyRange: [
-        Math.min(...raw.dos_energies ?? [0]),
-        Math.max(...raw.dos_energies ?? [0])
-      ],
-      numPoints: raw.dos_num_points ?? (raw.dos_energies?.length ?? 0),
+      energyRange: [Math.min(...raw.dos_energies ?? [0]), Math.max(...raw.dos_energies ?? [0])],
+      numPoints: raw.dos_num_points ?? raw.dos_energies?.length ?? 0,
       solverConfig: this.qmConfig,
       wallTimeSeconds: wallTime
     };
@@ -1952,10 +2013,7 @@ var PySCFBackend = class {
       };
     }
     if (task === "hamiltonian") {
-      const numQubits = atoms.reduce(
-        (sum, a) => sum + (ORBITAL_MAP[a.symbol] ?? 9) * 2,
-        0
-      ) || 10;
+      const numQubits = atoms.reduce((sum, a) => sum + (ORBITAL_MAP[a.symbol] ?? 9) * 2, 0) || 10;
       return {
         total_energy: -340.5,
         converged: true,
@@ -2069,5 +2127,5 @@ function getDefaultQmConfig(backend, questionType) {
 var VERSION = "0.1.0";
 
 export { IBMQuantumBackend, Psi4Backend, PySCFBackend, QM_ACCEPTANCE_CRITERIA, QM_BACKEND_CAPABILITIES, QuantumEspressoBackend, TBLiteBackend, VERSION, computeMeasurementBasis, createIBMQuantumBackend, createQmSolver, estimateMeasurementCost, getDefaultQmConfig, groupPauliTerms, parsePauliList, paulisCommute, qmConfigToCael, qmResultToCaelSummary, requireCapability, selectQmBackend, verifyQmAcceptance };
-//# sourceMappingURL=src-HCCCSYP7.js.map
-//# sourceMappingURL=src-HCCCSYP7.js.map
+//# sourceMappingURL=src-J6CM4AUR.js.map
+//# sourceMappingURL=src-J6CM4AUR.js.map

package/dist/{src-4ROC227P.cjs → src-PT2FERDV.cjs}

@@ -123,7 +123,9 @@ var init_ibm_quantum = chunkHCCQLAA4_cjs.__esm({
       getField(name) {
         if (name === "total_energy") {
           if (this.lastEnergy === null) {
-            throw new Error("[ibm-quantum] No energy computed yet. Call computeEnergy or runVQE first.");
+            throw new Error(
+              "[ibm-quantum] No energy computed yet. Call computeEnergy or runVQE first."
+            );
           }
           return new Float64Array([this.lastEnergy]);
         }
@@ -353,7 +355,7 @@ var init_ibm_quantum = chunkHCCQLAA4_cjs.__esm({
         const { execFile } = await import('child_process');
         const { promisify } = await import('util');
         const execFileAsync = promisify(execFile);
-        const scriptPath = this.config.scriptPath ?? new URL("../../../../../../scripts/quantum_execute.py", (typeof document === 'undefined' ? require('u' + 'rl').pathToFileURL(__filename).href : (_documentCurrentScript && _documentCurrentScript.tagName.toUpperCase() === 'SCRIPT' && _documentCurrentScript.src || new URL('src-4ROC227P.cjs', document.baseURI).href))).pathname;
+        const scriptPath = this.config.scriptPath ?? new URL("../../../../../../scripts/quantum_execute.py", (typeof document === 'undefined' ? require('u' + 'rl').pathToFileURL(__filename).href : (_documentCurrentScript && _documentCurrentScript.tagName.toUpperCase() === 'SCRIPT' && _documentCurrentScript.src || new URL('src-PT2FERDV.cjs', document.baseURI).href))).pathname;
         const pythonExe = process.env.QISKIT_PYTHON ?? (process.platform === "win32" ? "C:\\Python314\\python.exe" : "python3");
         const bridgeInput = { ...input };
         delete bridgeInput["api_token"];
@@ -773,7 +775,13 @@ var Psi4Backend = class {
   // ── Capability implementations ────────────────────────────────────────
   async computeEnergy(molecule) {
     const startTime = performance.now();
-    const input = generatePsi4Input(molecule, this.qmConfig.method, this.qmConfig.basis, "energy", this.qmConfig);
+    const input = generatePsi4Input(
+      molecule,
+      this.qmConfig.method,
+      this.qmConfig.basis,
+      "energy",
+      this.qmConfig
+    );
     const raw = await this.runPsi4(input);
     const wallTime = (performance.now() - startTime) / 1e3;
     const result = {
@@ -790,7 +798,13 @@ var Psi4Backend = class {
   }
   async optimizeGeometry(molecule) {
     const startTime = performance.now();
-    const input = generatePsi4Input(molecule, this.qmConfig.method, this.qmConfig.basis, "optimize", this.qmConfig);
+    const input = generatePsi4Input(
+      molecule,
+      this.qmConfig.method,
+      this.qmConfig.basis,
+      "optimize",
+      this.qmConfig
+    );
     const raw = await this.runPsi4(input);
     const wallTime = (performance.now() - startTime) / 1e3;
     return {
@@ -806,7 +820,13 @@ var Psi4Backend = class {
   }
   async computeVibrations(molecule) {
     const startTime = performance.now();
-    const input = generatePsi4Input(molecule, this.qmConfig.method, this.qmConfig.basis, "frequency", this.qmConfig);
+    const input = generatePsi4Input(
+      molecule,
+      this.qmConfig.method,
+      this.qmConfig.basis,
+      "frequency",
+      this.qmConfig
+    );
     const raw = await this.runPsi4(input);
     const wallTime = (performance.now() - startTime) / 1e3;
     return {
@@ -840,7 +860,9 @@ var Psi4Backend = class {
     };
   }
   async computeBandStructure() {
-    throw new Error("[qm-bridge] Psi4 does not support periodic/band structure calculations. Use quantum-espresso backend.");
+    throw new Error(
+      "[qm-bridge] Psi4 does not support periodic/band structure calculations. Use quantum-espresso backend."
+    );
   }
   async computeDipoleMoment(molecule) {
     const energyResult = await this.computeEnergy(molecule);
@@ -848,12 +870,20 @@ var Psi4Backend = class {
     return this.lastDipole;
   }
   async computeDftMaterials() {
-    throw new Error("[qm-bridge] Psi4 does not support periodic/materials DFT. Use quantum-espresso backend.");
+    throw new Error(
+      "[qm-bridge] Psi4 does not support periodic/materials DFT. Use quantum-espresso backend."
+    );
   }
   async computeNmrSpectrum(molecule) {
     requireCapability("psi4", "nmrGiao");
     const startTime = performance.now();
-    const input = generatePsi4Input(molecule, this.qmConfig.method, this.qmConfig.basis, "nmr", this.qmConfig);
+    const input = generatePsi4Input(
+      molecule,
+      this.qmConfig.method,
+      this.qmConfig.basis,
+      "nmr",
+      this.qmConfig
+    );
     const raw = await this.runPsi4(input);
     const wallTime = (performance.now() - startTime) / 1e3;
     const tmsReference = {
@@ -878,7 +908,9 @@ var Psi4Backend = class {
     };
   }
   async computeSemiEmpiricalEnergy() {
-    throw new Error("[qm-bridge] Psi4 does not support semi-empirical methods. Use tblite backend.");
+    throw new Error(
+      "[qm-bridge] Psi4 does not support semi-empirical methods. Use tblite backend."
+    );
   }
   async computeTransitionState(reactant, product, numImages = 7) {
     requireCapability("psi4", "transitionStates");
@@ -886,7 +918,9 @@ var Psi4Backend = class {
     const midpointAtoms = reactant.atoms.map((a, i) => {
       const productAtom = product.atoms[i];
       if (!productAtom) {
-        throw new Error("[qm-bridge] Reactant/product atom counts must match for transition state search.");
+        throw new Error(
+          "[qm-bridge] Reactant/product atom counts must match for transition state search."
+        );
       }
       return {
         symbol: a.symbol,
@@ -1117,13 +1151,19 @@ var QuantumEspressoBackend = class {
   }
   // ── Capability implementations ────────────────────────────────────────
   async computeEnergy(_molecule) {
-    throw new Error("[qm-bridge] Quantum ESPRESSO does not support molecular energy calculations. Use psi4 backend.");
+    throw new Error(
+      "[qm-bridge] Quantum ESPRESSO does not support molecular energy calculations. Use psi4 backend."
+    );
   }
   async optimizeGeometry(_molecule) {
-    throw new Error("[qm-bridge] Quantum ESPRESSO does not support molecular geometry optimization. Use psi4 backend.");
+    throw new Error(
+      "[qm-bridge] Quantum ESPRESSO does not support molecular geometry optimization. Use psi4 backend."
+    );
   }
   async computeVibrations(_molecule) {
-    throw new Error("[qm-bridge] Quantum ESPRESSO does not support molecular vibrational analysis. Use psi4 backend.");
+    throw new Error(
+      "[qm-bridge] Quantum ESPRESSO does not support molecular vibrational analysis. Use psi4 backend."
+    );
   }
   async computeChargeDensity() {
     throw new Error("[qm-bridge] Quantum ESPRESSO charge density not yet implemented (stage 2).");
@@ -1131,7 +1171,11 @@ var QuantumEspressoBackend = class {
   async computeBandStructure(crystal) {
     requireCapability("quantum-espresso", "periodic");
     const startTime = performance.now();
-    const input = generateQeScfInput(crystal, this.qmConfig.method, this.qmConfig);
+    const input = generateQeScfInput(
+      crystal,
+      this.qmConfig.method,
+      this.qmConfig
+    );
     const raw = await this.runQe(input);
     const wallTime = (performance.now() - startTime) / 1e3;
     const result = {
@@ -1147,12 +1191,18 @@ var QuantumEspressoBackend = class {
     return result;
   }
   async computeDipoleMoment() {
-    throw new Error("[qm-bridge] Quantum ESPRESSO does not support molecular dipole calculations. Use psi4 backend.");
+    throw new Error(
+      "[qm-bridge] Quantum ESPRESSO does not support molecular dipole calculations. Use psi4 backend."
+    );
   }
   async computeDftMaterials(crystal) {
     requireCapability("quantum-espresso", "periodic");
     const startTime = performance.now();
-    const scfInput = generateQeScfInput(crystal, this.qmConfig.method, this.qmConfig);
+    const scfInput = generateQeScfInput(
+      crystal,
+      this.qmConfig.method,
+      this.qmConfig
+    );
     const raw = await this.runQe(scfInput);
     const wallTimeEnergy = (performance.now() - startTime) / 1e3;
     const bandResult = await this.computeBandStructure(crystal);
@@ -1172,10 +1222,14 @@ var QuantumEspressoBackend = class {
     throw new Error("[qm-bridge] Quantum ESPRESSO does not support NMR GIAO. Use psi4 backend.");
   }
   async computeSemiEmpiricalEnergy() {
-    throw new Error("[qm-bridge] Quantum ESPRESSO does not support semi-empirical. Use tblite backend.");
+    throw new Error(
+      "[qm-bridge] Quantum ESPRESSO does not support semi-empirical. Use tblite backend."
+    );
   }
   async computeTransitionState() {
-    throw new Error("[qm-bridge] Quantum ESPRESSO does not support NEB/TS search. Use psi4 backend.");
+    throw new Error(
+      "[qm-bridge] Quantum ESPRESSO does not support NEB/TS search. Use psi4 backend."
+    );
   }
   async computeQmMm() {
     throw new Error("[qm-bridge] Quantum ESPRESSO does not support QM/MM. Use psi4 backend.");
@@ -1255,20 +1309,26 @@ var TBLiteBackend = class {
     };
   }
   async computeVibrations() {
-    throw new Error("[qm-bridge] TBLite vibrational analysis not yet implemented (stage 2). Use psi4 for accurate frequencies.");
+    throw new Error(
+      "[qm-bridge] TBLite vibrational analysis not yet implemented (stage 2). Use psi4 for accurate frequencies."
+    );
   }
   async computeChargeDensity() {
     throw new Error("[qm-bridge] TBLite does not support charge density grids. Use psi4 backend.");
   }
   async computeBandStructure() {
-    throw new Error("[qm-bridge] TBLite does not support band structure calculations. Use quantum-espresso backend.");
+    throw new Error(
+      "[qm-bridge] TBLite does not support band structure calculations. Use quantum-espresso backend."
+    );
   }
   async computeDipoleMoment(molecule) {
     const result = await this.computeSemiEmpiricalEnergy(molecule);
     return result.dipoleMoment ?? [0, 0, 0];
   }
   async computeDftMaterials() {
-    throw new Error("[qm-bridge] TBLite does not support periodic/materials DFT. Use quantum-espresso backend.");
+    throw new Error(
+      "[qm-bridge] TBLite does not support periodic/materials DFT. Use quantum-espresso backend."
+    );
   }
   async computeNmrSpectrum() {
     throw new Error("[qm-bridge] TBLite does not support NMR GIAO. Use psi4 backend.");
@@ -1651,7 +1711,9 @@ var PySCFBackend = class {
     return { energy: energyResult, bandStructure: bandResult };
   }
   async computeNmrSpectrum() {
-    throw new Error("[pyscf] NMR GIAO is not a primary target for PySCF backend. Use psi4 backend.");
+    throw new Error(
+      "[pyscf] NMR GIAO is not a primary target for PySCF backend. Use psi4 backend."
+    );
   }
   async computeSemiEmpiricalEnergy() {
     throw new Error("[pyscf] PySCF does not support semi-empirical methods. Use tblite backend.");
@@ -1662,7 +1724,9 @@ var PySCFBackend = class {
     const midpointAtoms = reactant.atoms.map((a, i) => {
       const productAtom = product.atoms[i];
       if (!productAtom) {
-        throw new Error("[pyscf] Reactant/product atom counts must match for transition state search.");
+        throw new Error(
+          "[pyscf] Reactant/product atom counts must match for transition state search."
+        );
       }
       return {
         symbol: a.symbol,
@@ -1775,11 +1839,8 @@ var PySCFBackend = class {
       totalDos: raw.dos_total ?? [],
       projectedDos: raw.dos_projected,
       fermiEnergy: raw.fermi_energy ?? 0,
-      energyRange: [
-        Math.min(...raw.dos_energies ?? [0]),
-        Math.max(...raw.dos_energies ?? [0])
-      ],
-      numPoints: raw.dos_num_points ?? (raw.dos_energies?.length ?? 0),
+      energyRange: [Math.min(...raw.dos_energies ?? [0]), Math.max(...raw.dos_energies ?? [0])],
+      numPoints: raw.dos_num_points ?? raw.dos_energies?.length ?? 0,
       solverConfig: this.qmConfig,
       wallTimeSeconds: wallTime
     };
@@ -1854,7 +1915,7 @@ var PySCFBackend = class {
     const { execFile } = await import('child_process');
     const { promisify } = await import('util');
     const execFileAsync = promisify(execFile);
-    const resolvedScript = scriptPath || new URL("../../../../../scripts/quantum_materials_execute.py", (typeof document === 'undefined' ? require('u' + 'rl').pathToFileURL(__filename).href : (_documentCurrentScript && _documentCurrentScript.tagName.toUpperCase() === 'SCRIPT' && _documentCurrentScript.src || new URL('src-4ROC227P.cjs', document.baseURI).href))).pathname;
+    const resolvedScript = scriptPath || new URL("../../../../../scripts/quantum_materials_execute.py", (typeof document === 'undefined' ? require('u' + 'rl').pathToFileURL(__filename).href : (_documentCurrentScript && _documentCurrentScript.tagName.toUpperCase() === 'SCRIPT' && _documentCurrentScript.src || new URL('src-PT2FERDV.cjs', document.baseURI).href))).pathname;
     const { stdout, stderr } = await execFileAsync(
       pythonExe,
       [resolvedScript, JSON.stringify(input)],
@@ -1955,10 +2016,7 @@ var PySCFBackend = class {
       };
     }
     if (task === "hamiltonian") {
-      const numQubits = atoms.reduce(
-        (sum, a) => sum + (ORBITAL_MAP[a.symbol] ?? 9) * 2,
-        0
-      ) || 10;
+      const numQubits = atoms.reduce((sum, a) => sum + (ORBITAL_MAP[a.symbol] ?? 9) * 2, 0) || 10;
       return {
         total_energy: -340.5,
         converged: true,
@@ -2090,5 +2148,5 @@ exports.qmResultToCaelSummary = qmResultToCaelSummary;
 exports.requireCapability = requireCapability;
 exports.selectQmBackend = selectQmBackend;
 exports.verifyQmAcceptance = verifyQmAcceptance;
-//# sourceMappingURL=src-4ROC227P.cjs.map
-//# sourceMappingURL=src-4ROC227P.cjs.map
+//# sourceMappingURL=src-PT2FERDV.cjs.map
+//# sourceMappingURL=src-PT2FERDV.cjs.map

package/dist/testing.cjs

@@ -1,25 +1,25 @@
 'use strict';
 
-var chunkPGANYCAG_cjs = require('./chunk-PGANYCAG.cjs');
+var chunkG25QVBA5_cjs = require('./chunk-G25QVBA5.cjs');
 require('./chunk-HCCQLAA4.cjs');
 
 
 
 Object.defineProperty(exports, "DeterminismHarness", {
   enumerable: true,
-  get: function () { return chunkPGANYCAG_cjs.DeterminismHarness; }
+  get: function () { return chunkG25QVBA5_cjs.DeterminismHarness; }
 });
 Object.defineProperty(exports, "captureEnvironment", {
   enumerable: true,
-  get: function () { return chunkPGANYCAG_cjs.captureEnvironment; }
+  get: function () { return chunkG25QVBA5_cjs.captureEnvironment; }
 });
 Object.defineProperty(exports, "describeEnvironment", {
   enumerable: true,
-  get: function () { return chunkPGANYCAG_cjs.describeEnvironment; }
+  get: function () { return chunkG25QVBA5_cjs.describeEnvironment; }
 });
 Object.defineProperty(exports, "hashBytes", {
   enumerable: true,
-  get: function () { return chunkPGANYCAG_cjs.hashBytes; }
+  get: function () { return chunkG25QVBA5_cjs.hashBytes; }
 });
 //# sourceMappingURL=testing.cjs.map
 //# sourceMappingURL=testing.cjs.map

package/dist/testing.js

@@ -1,4 +1,4 @@
-export { DeterminismHarness, captureEnvironment, describeEnvironment, hashBytes } from './chunk-NW5G5FBQ.js';
+export { DeterminismHarness, captureEnvironment, describeEnvironment, hashBytes } from './chunk-DD2JQ7TS.js';
 import './chunk-OL46QLBJ.js';
 //# sourceMappingURL=testing.js.map
 //# sourceMappingURL=testing.js.map