Tweak `LiebLin_Catalogue_Fixed_c_k_Nscaling`
Cette révision appartient à :
Parent
20c0035208
révision
d419d933d1
|
@ -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;
|
||||
|
|
|
@ -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 {
|
||||
|
|
Chargement…
Référencer dans un nouveau ticket