SOF-7449: debug

Author: pranabdas

src/context/providers/PlanewaveCutoffsContextProvider.js

@@ -40,51 +40,51 @@ export class PlanewaveCutoffsContextProvider extends mix(ContextProvider).with(
         return cutoffConfig[this.application.name];
     }
 
-    get cutoffsFromPseudos() {
-        const pseudos = this.methodData.pseudo || [];
-        let ecutwfc = 0;
-        let ecutrho = 0;
-
-        pseudos.forEach((data) => {
-            // set the highest cutoff of all elements
-            if (data?.cutoffs?.wfc?.standard > ecutwfc) {
-                ecutwfc = data.cutoffs.wfc.standard;
-            }
-
-            if (data?.cutoffs?.rho?.standard > ecutrho) {
-                ecutrho = data.cutoffs.rho.standard;
-            } else {
-                // if rho cutoff is not present, set it based on wfc cutoff
-                // if it is ultrasoft pseudopotential set rho cutoff 8 times
-                // that of wfc cutoff, otherwise 4 times that of wfc cutoff
-                const rhoMultiplier = this.methodData.pseudo?.type === "us" ? 8 : 4;
-                ecutrho = Math.max(ecutrho, ecutwfc * rhoMultiplier);
-            }
-        });
-
-        return [ecutwfc, ecutrho];
-    }
+    // get cutoffsFromPseudos() {
+    //     const pseudos = this.methodData.pseudo || [];
+    //     let ecutwfc = 0;
+    //     let ecutrho = 0;
+
+    //     pseudos.forEach((data) => {
+    //         // set the highest cutoff of all elements
+    //         if (data?.cutoffs?.wfc?.standard > ecutwfc) {
+    //             ecutwfc = data.cutoffs.wfc.standard;
+    //         }
+
+    //         if (data?.cutoffs?.rho?.standard > ecutrho) {
+    //             ecutrho = data.cutoffs.rho.standard;
+    //         } else {
+    //             // if rho cutoff is not present, set it based on wfc cutoff
+    //             // if it is ultrasoft pseudopotential set rho cutoff 8 times
+    //             // that of wfc cutoff, otherwise 4 times that of wfc cutoff
+    //             const rhoMultiplier = this.methodData.pseudo?.type === "us" ? 8 : 4;
+    //             ecutrho = Math.max(ecutrho, ecutwfc * rhoMultiplier);
+    //         }
+    //     });
+
+    //     return [ecutwfc, ecutrho];
+    // }
 
     get defaultECUTWFC() {
-        if (["espresso", "qe"].includes(this.application.shortName)) {
-            const [ecutwfc] = this.cutoffsFromPseudos;
+        // if (["espresso", "qe"].includes(this.application.shortName)) {
+        //     const [ecutwfc] = this.cutoffsFromPseudos;
 
-            if (ecutwfc > 0) {
-                return ecutwfc;
-            }
-        }
+        //     if (ecutwfc > 0) {
+        //         return ecutwfc;
+        //     }
+        // }
 
         return this._cutoffConfigPerApplication.wavefunction || null;
     }
 
     get defaultECUTRHO() {
-        if (["espresso", "qe"].includes(this.application.shortName)) {
-            const [, ecutrho] = this.cutoffsFromPseudos;
+        // if (["espresso", "qe"].includes(this.application.shortName)) {
+        //     const [, ecutrho] = this.cutoffsFromPseudos;
 
-            if (ecutrho > 0) {
-                return ecutrho;
-            }
-        }
+        //     if (ecutrho > 0) {
+        //         return ecutrho;
+        //     }
+        // }
 
         return this._cutoffConfigPerApplication.density || null;
     }