Add alerts

src/EXECS/LiebLin_DSF_tester.cc

@@ -78,7 +78,7 @@ int main(int argc, char* argv[])
 	cout << setprecision(16) << "estate.E - spstate.E = " << estate.E - spstate.E
 	     << "\tME = " << real(exp(ln_Psi_ME(spstate, estate))) << endl;
 
-      //cout << "Another try ? (1 == yes, 0 == no)" << endl;
+      cout << "Another try ? (1 == yes, 0 == no)" << endl;
       again = 1;
       cin >> again;
     } while (again != 0);

src/SCAN/General_Scan.cc

@@ -537,6 +537,7 @@ namespace ABACUS {
 
       Vect<Scan_Thread> threads_to_do;
       int il_to_do = paused_thread_data.lowest_il_with_nthreads_neq_0; // for resaving threads in case we're out of time
+      DP current_threshold = exp(-paused_thread_data.logscale * il_to_do);
       {
 #pragma omp critical
 	threads_to_do = paused_thread_data.Extract_Next_Scan_Threads();
@@ -568,6 +569,7 @@ namespace ABACUS {
 
 	  ScanState.Set_to_Label(threads_to_do[ithread].label, BaseScanState.Ix2);
 
+	  Tstate ScanStateBeingDescended = ScanState;
 
 	  // STARTING Descend_and_Compute block:
 	  int type_required = threads_to_do[ithread].type;
@@ -657,6 +659,16 @@ namespace ABACUS {
 		// 	     << "\t" << setw(16) << std::fixed << setprecision(8)
 		// 	     << data_value/exp(-paused_thread_data.logscale * il_to_do) << endl;
 
+		// Uncomment below if alerts for unexpectedly high data_value (as compared to threshold) are desired
+		// if (fabs(data_value) > 10.0* current_threshold) {
+		//   cout << "\nAlert: data_value > 10* threshold, " << data_value << "\t" << current_threshold << endl;
+		//   cout << " for state " << ScanState.label << " descendent of type " << type_required
+		//        << " of state " << ScanStateBeingDescended.label << endl;
+		//   cout << AveragingState.Ix2 << endl;
+		//   cout << ScanStateBeingDescended.Ix2 << endl;
+		//   cout << ScanState.Ix2 << endl;
+		// }
+
 	      } // if (ScanState.conv)
 	      else {
 		if (nconv0++ < 1000)
@@ -753,7 +765,7 @@ namespace ABACUS {
 
 	  } // for idesc
 
-	    // FINISHED Descend_and_Compute block
+	  // FINISHED Descend_and_Compute block
 
 
 	  scan_info_this_ithread.TT += omp_get_wtime() - start_time_this_ithread;