Tweak `LiebLin_Catalogue_Fixed_c_k_Nscaling`

src/EXECS/LiebLin_Catalogue_Fixed_c_k_Nscaling.cc

@@ -22,7 +22,7 @@ using namespace ABACUS;
 int main(int argc, char* argv[])
 {
 
-  if (argc != 7) { // provide some info
+  if (argc != 8) { // provide some info
 
     cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl;
     cout << endl << "Usage of LiebLin_Catalogue_Fixed_c_k_Nscaling executable: " << endl;
@@ -30,10 +30,11 @@ int main(int argc, char* argv[])
     cout << "char whichDSF \t\t Which structure factor should be calculated ?  Options are:  "
       "d for rho rho, g for psi psi{dagger}, o for psi{dagger} psi" << endl;
     cout << "DP c_int \t\t Value of the interaction parameter:  use positive real values only" << endl;
-    cout << "int kfact \t\t momentum factor: momemntum will be set to kfact * kF/4" << endl;
+    cout << "int kfact \t\t momentum factor: momemntum will be set to kfact * kF/16" << endl;
     cout << "DP kBT \t\t Temperature (positive only of course)" << endl;
     cout << "DP target_sumrule \t sumrule saturation you're satisfied with" << endl;
-    cout << "int Max_Secs \t\t Allowed computational time" << endl;
+    cout << "int Hrs \t\t Allowed computational time (hours)" << endl;
+    cout << "int Mns \t\t Allowed computational time (minutes)" << endl;
   }
 
   else { // correct nr of arguments
@@ -43,7 +44,7 @@ int main(int argc, char* argv[])
     int kfact = atoi(argv[ia++]);
     DP kBT = atof(argv[ia++]);
     DP target_sumrule = atof(argv[ia++]);
-    int Max_Secs = atoi(argv[ia++]);
+    int Max_Secs = 3600*atoi(argv[ia++]) + 60*atoi(argv[ia++]);
 
     double StartTime = omp_get_wtime();
 
@@ -53,17 +54,20 @@ int main(int argc, char* argv[])
 
     int iN = 0;
 
-    int nN = 12;
+    int nN = 16;
     Vect<int> Nv(nN);
-    Nv[0] = 160; Nv[1] = 192; Nv[2] = 224; Nv[3] = 256;
-    Nv[4] = 320; Nv[5] = 384; Nv[6] = 448; Nv[7] = 512;
-    Nv[8] = 640; Nv[9] = 768; Nv[10] = 896; Nv[11] = 1024;
+    // Multiples of 32 up to 256
+    for (int i = 1; i <= 8; ++i) Nv[i-1] = 32*i;
+    // Then steps of 64 up to 512
+    for (int i = 1; i <= 4; ++i) Nv[7+i] = 256 + 64*i;
+    // Then steps of 128 up to 1024
+    for (int i = 1; i <= 4; ++i) Nv[11+i] = 512 + 128*i;
 
     for (int iN = 0; iN < nN; ++iN) {
 
       int N = Nv[iN];
       DP L = N;
-      int iKmin = (kfact * N)/8;
+      int iKmin = (kfact * N)/32;
       int iKmax = iKmin;
       DP srsat = 0.0;
       bool refine = false;

src/SCAN/General_Scan.cc

@@ -650,12 +650,12 @@ namespace ABACUS {
 		}
 
 		// Uncomment line below if .stat file is desired:
-		STAT_outfile << setw(20) << label_here << "\t" << setw(5) << type_required
-			     << "\t" << setw(16) << std::scientific
-			     << exp(-paused_thread_data.logscale * il_to_do)
-			     << "\t" << setw(20) << ScanState.label << "\t" << setw(16) << data_value
-			     << "\t" << setw(16) << std::fixed << setprecision(8)
-			     << data_value/exp(-paused_thread_data.logscale * il_to_do) << endl;
+		// STAT_outfile << setw(20) << label_here << "\t" << setw(5) << type_required
+		// 	     << "\t" << setw(16) << std::scientific
+		// 	     << exp(-paused_thread_data.logscale * il_to_do)
+		// 	     << "\t" << setw(20) << ScanState.label << "\t" << setw(16) << data_value
+		// 	     << "\t" << setw(16) << std::fixed << setprecision(8)
+		// 	     << data_value/exp(-paused_thread_data.logscale * il_to_do) << endl;
 
 	      } // if (ScanState.conv)
 	      else {