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Rework catalogue building

This commit is contained in:
Jean-Sébastien 2021-12-12 17:13:31 +01:00
parent bdf309d78c
commit 9c759b3f04
9 changed files with 165 additions and 220 deletions
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69
include/ABACUS_Scan.h
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@ -101,35 +101,6 @@ namespace ABACUS {
Vect<std::string> Descendent_States_with_iK_Stepped_Down_rightIx2only Vect<std::string> Descendent_States_with_iK_Stepped_Down_rightIx2only
(std::string ScanIx2_label, const Heis_Bethe_State& OriginState, bool disperse_only_current_exc, bool preserve_nexc); (std::string ScanIx2_label, const Heis_Bethe_State& OriginState, bool disperse_only_current_exc, bool preserve_nexc);
// Functions in src/SCAN/General_Scan.cc:
void Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
void Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
int Max_Secs, DP target_sumrule, bool refine);
void Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, std::string defaultScanStatename, int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
void Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, std::string defaultname, int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine);
void Scan_LiebLin_Geometric_Quench (DP c_int, DP L_1, int type_id_1, long long int id_1, DP L_2, int N,
int iK_UL, int Max_Secs, DP target_sumrule, bool refine);
void Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
void Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine);
void Scan_Heis (char whichDSF, XXZ_Bethe_State& AveragingState, std::string defaultScanStatename, int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
void Scan_Heis (char whichDSF, XXX_Bethe_State& AveragingState, std::string defaultScanStatename, int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
void Scan_Heis (char whichDSF, XXZ_gpd_Bethe_State& AveragingState, std::string defaultScanStatename, int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
void Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine, int rank, int nr_processors);
void Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax, int Max_Secs, bool refine);
void Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int iKneeded, int Max_Secs, bool refine);
void Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int Max_Secs, bool refine);
// Functions to prepare and wrapup parallel scans: // Functions to prepare and wrapup parallel scans:
void Prepare_Parallel_Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT, void Prepare_Parallel_Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
std::string defaultname, int paralevel, Vect<int> rank_lower_paralevels, std::string defaultname, int paralevel, Vect<int> rank_lower_paralevels,
@ -228,10 +199,50 @@ namespace ABACUS {
std::ostream& operator<< (std::ostream& s, const Scan_Info& info); std::ostream& operator<< (std::ostream& s, const Scan_Info& info);
// Functions in src/SCAN/General_Scan.cc:
template<class Tstate> template<class Tstate>
Scan_Info General_Scan (char whichDSF, int iKmin, int iKmax, int iKmod, DP kBT, Tstate& AveragingState, Tstate& SeedScanState, Scan_Info General_Scan (char whichDSF, int iKmin, int iKmax, int iKmod, DP kBT, Tstate& AveragingState, Tstate& SeedScanState,
std::string defaultScanStatename, int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors); std::string defaultScanStatename, int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors);
Scan_Info Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
int Max_Secs, DP target_sumrule, bool refine,
int paralevel, Vect<int> rank, Vect<int> nr_processors);
Scan_Info Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
int Max_Secs, DP target_sumrule, bool refine);
Scan_Info Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, std::string defaultScanStatename,
int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine,
int paralevel, Vect<int> rank, Vect<int> nr_processors);
Scan_Info Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, std::string defaultname,
int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine);
Scan_Info Scan_LiebLin_Geometric_Quench (DP c_int, DP L_1, int type_id_1, long long int id_1, DP L_2, int N,
int iK_UL, int Max_Secs, DP target_sumrule, bool refine);
Scan_Info Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine,
int paralevel, Vect<int> rank, Vect<int> nr_processors);
Scan_Info Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine);
Scan_Info Scan_Heis (char whichDSF, XXZ_Bethe_State& AveragingState, std::string defaultScanStatename,
int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine,
int paralevel, Vect<int> rank, Vect<int> nr_processors);
Scan_Info Scan_Heis (char whichDSF, XXX_Bethe_State& AveragingState, std::string defaultScanStatename,
int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine,
int paralevel, Vect<int> rank, Vect<int> nr_processors);
Scan_Info Scan_Heis (char whichDSF, XXZ_gpd_Bethe_State& AveragingState, std::string defaultScanStatename,
int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine,
int paralevel, Vect<int> rank, Vect<int> nr_processors);
Scan_Info Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine, int rank, int nr_processors);
Scan_Info Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax, int Max_Secs, bool refine);
Scan_Info Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int iKneeded, int Max_Secs, bool refine);
Scan_Info Scan_ODSLF (char whichDSF, DP Delta, int N, int M, int Max_Secs, bool refine);
//**************************************************************************** //****************************************************************************

14
scripts/build_LiebLin_catalogue_k_fixed.sh
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@ -42,7 +42,15 @@ kBT=$2
target_sumrule=$3 target_sumrule=$3
nr_minutes=$4 nr_minutes=$4
logfile='run_'$whichDSF'_kBT_'$kBT'_sr_'$target_sumrule'_'$(date '+%Y-%m-%d-%Hh%M')'.log' correlator='rho-rho'
if [[ $whichDSF == 'o' ]]; then
correlator='psidag-psi'
elif [[ $whichDSF == 'g' ]]; then
correlator='psi-psidag'
fi
mkdir -p logs
logfile='logs/run_'$whichDSF'_kBT_'$kBT'_sr_'$target_sumrule'_'$(date '+%Y-%m-%d-%Hh%M')'.log'
touch $logfile touch $logfile
clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625) clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
@ -55,11 +63,11 @@ do
for nk in {1..16} for nk in {1..16}
do do
echo 'Starting run for c =' $c', kfact = '$nk | tee -a $logfile echo 'Starting run for c =' $c', kfact = '$nk | tee -a $logfile
dir='c_'$c'/kBT_'$kBT'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_'$c'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule'/prelim'
mkdir -p $dir mkdir -p $dir
cd $dir cd $dir
LiebLin_Catalogue_Fixed_c_k_Nscaling $whichDSF $c $nk $kBT $target_sumrule 0 $nr_minutes | tee -a $basedir/$logfile LiebLin_Catalogue_Fixed_c_k_Nscaling $whichDSF $c $nk $kBT $target_sumrule 0 $nr_minutes | tee -a $basedir/$logfile
cd $basedir cd $basedir
echo ' Successfully completed run for c =' $c', kfact = '$nk'\n' | tee -a $logfile echo 'Successfully completed run for c =' $c', kfact = '$nk'\n' | tee -a $logfile
done done
done done

27
scripts/build_LiebLin_catalogue_k_fixed_dsf.sh → scripts/build_LiebLin_catalogue_k_fixed_dsfs.sh
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@ -35,6 +35,13 @@ kBT=$2
target_sumrule=$3 target_sumrule=$3
width=$4 width=$4
correlator='rho-rho'
if [[ $whichDSF == 'o' ]]; then
correlator='psidag-psi'
elif [[ $whichDSF == 'g' ]]; then
correlator='psi-psidag'
fi
clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625) clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
basedir="$(pwd)" basedir="$(pwd)"
@ -53,16 +60,18 @@ do
ommax=$(($nk*($nk + 8))) ommax=$(($nk*($nk + 8)))
# Number of points: # Number of points:
Nom=1000 Nom=1000
echo 'Starting computation of DSFs for c =' $c', kfact = '$nk | tee -a $logfile echo 'Starting computation of DSFs for c =' $c', kfact = '$nk
dir='c_'$c'/kBT_'$kBT'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_'$c'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule'/store/data'
cd $dir cd $dir
echo $dir for datadir in *
mkdir -p plots/ do
LiebLin_Catalogue_Fixed_c_k_Nscaling_Smoothen_DSF $whichDSF $c $nk $kBT $target_sumrule $ommin $ommax $Nom $width cd $datadir
mv *dsfs plots/ N=${datadir#"N_"}
mv K_* plots/ iK=$(($nk * $N/8))
mv Omega_* plots/ Smoothen_LiebLin_DSF_Scaled $whichDSF $c $N $N $iK $iK $kBT 0 $ommin $ommax $Nom $width
cd ..
done
cd $basedir cd $basedir
echo ' Successfully computed DSFs for c =' $c', kfact = '$nk'\n' | tee -a $logfile echo ' Successfully computed DSFs for c =' $c', kfact = '$nk'\n'
done done
done done

28
scripts/build_LiebLin_catalogue_k_fixed_plot_dsf.sh → scripts/build_LiebLin_catalogue_k_fixed_dsfs_plots.sh
View File

@ -32,6 +32,13 @@ kBT=$2
target_sumrule=$3 target_sumrule=$3
width=$4 width=$4
correlator='rho-rho'
if [[ $whichDSF == 'o' ]]; then
correlator='psidag-psi'
elif [[ $whichDSF == 'g' ]]; then
correlator='psi-psidag'
fi
clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625) clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
basedir="$(pwd)" basedir="$(pwd)"
@ -41,9 +48,14 @@ for c in $clist
do do
for nk in {1..16} for nk in {1..16}
do do
echo 'Starting plotting of DSFs for c =' $c', kfact = '$nk | tee -a $logfile echo 'Starting plotting of DSFs for c =' $c', kfact = '$nk
dir='c_'$c'/kBT_'$kBT'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule'/plots' dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_'$c'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule'/store/plots'
mkdir -p $dir
cd $dir cd $dir
# Move all K_, Omega_ and .dsfs files to the plots directory
mv ../data/*/K_* .
mv ../data/*/Omega_* .
mv ../data/*/*dsfs .
dirlist="$(ls)" dirlist="$(ls)"
# Find the Omega file # Find the Omega file
for file in * for file in *
@ -54,16 +66,14 @@ do
done done
echo 'Omega file: ' $omegafile echo 'Omega file: ' $omegafile
# For each .dsfs file, plot # For each .dsfs file, plot
for file in * for file in *.dsfs
do do
if [[ $file = LiebLin*dsfs ]]; then echo 'Found file ' $file
echo 'Found file ' $file # invoke the python script
# invoke the python script plot_dsf_k_fixed.py $omegafile $file
plot_dsf_k_fixed.py $omegafile $file
fi
done done
cd $basedir cd $basedir
echo ' Successfully plotted DSFs for c =' $c', kfact = '$nk'\n' | tee -a $logfile echo ' Successfully plotted DSFs for c =' $c', kfact = '$nk'\n'
done done
done done

10
scripts/plot_dsf_k_fixed.py
View File

@ -23,11 +23,11 @@ plt.ylabel('$S (k, \omega)$')
elements = dsffile.split('_') elements = dsffile.split('_')
c_int = elements[4] c_int = elements[3]
L = elements[6] L = elements[5]
N = elements[8] N = elements[7]
iK = elements[13] iK = elements[12]
width = elements[23].partition('.')[0] width = elements[20].partition('.')[0]
rho = int(N)/int(L) rho = int(N)/int(L)
kokF = int(iK)*0.5/int(L) kokF = int(iK)*0.5/int(L)

24
src/EXECS/LiebLin_Catalogue_Fixed_c_k_Nscaling.cc
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@ -92,17 +92,35 @@ int main(int argc, char* argv[])
ActualTime = omp_get_wtime(); ActualTime = omp_get_wtime();
Secs_left = int(Max_Secs - (ActualTime - StartTime)); Secs_left = int(Max_Secs - (ActualTime - StartTime));
Scan_Info resulting_info;
if (srsat < target_sumrule && Secs_left > Max_Secs/2) if (srsat < target_sumrule && Secs_left > Max_Secs/2)
// Improve the icmin calculation by one chunk: // Improve the icmin calculation by one chunk:
Scan_LiebLin (whichDSF, c_int, L, N, iKmin, iKmax, kBT, Secs_left, target_sumrule, refine); resulting_info = Scan_LiebLin (whichDSF, c_int, L, N, iKmin, iKmax, kBT,
Secs_left, target_sumrule, refine);
if (resulting_info.sumrule_obtained > target_sumrule) {
// Move files to storage, keeping a copy of the .src file in the current directory
string command1 = "mkdir -p ../store/data/N_" + to_string(N);
system(command1.c_str());
string command2 = "mv *_N_" + to_string(N) + "* ../store/data/N_" + to_string(N) + "/";
system(command2.c_str());
string command3 = "cp ../store/data/N_" + to_string(N) + "/*src .";
system(command3.c_str());
}
ActualTime = omp_get_wtime(); ActualTime = omp_get_wtime();
Secs_left = int(Max_Secs - (ActualTime - StartTime)); Secs_left = int(Max_Secs - (ActualTime - StartTime));
cout << "Done with N = " << N << ". Time left = " << Secs_left << " seconds." << endl; cout << "Done with N = " << N << ". Sumrule obtained: " << resulting_info.sumrule_obtained
<< "\tTime left = " << Secs_left << " seconds." << endl;
if (Secs_left < 60) { if (Secs_left < 60) {
cout << "Breaking out after N = " << N << " since time left = " << Secs_left << endl; if (resulting_info.sumrule_obtained > target_sumrule) {
cout << "Breaking out after completing N = " << N << " since time left = " << Secs_left << endl;
}
else {
cout << "Breaking out while working on N = " << N << " since allocated time is exhausted." << endl;
}
break; break;
} }

109
src/EXECS/LiebLin_Catalogue_Fixed_c_k_Nscaling_Smoothen_DSF.cc
View File

@ -1,109 +0,0 @@
/**********************************************************
This software is part of J.-S. Caux's ABACUS library.
Copyright (c) J.-S. Caux.
-----------------------------------------------------------
File: LiebLin_Catalogue_Fixed_c_k_Nscaling_Smoothen_DSF.cc
Purpose: Produces smoothened DSF for output from LiebLin_Catalogue_Fixed_c_k_Nscaling.cc
***********************************************************/
#include <omp.h>
#include "ABACUS.h"
using namespace std;
using namespace ABACUS;
int main(int argc, char* argv[])
{
if (argc != 10) { // provide some info
cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl;
cout << endl << "Usage of LiebLin_Catalogue_Fixed_c_k_Nscaling_Smoothen_DSF executable: " << endl;
cout << endl << "Provide the following arguments:" << endl << endl;
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 << "DP kBT \t\t Temperature (positive only of course)" << endl;
cout << "DP target_sumrule \t sumrule saturation you're satisfied with" << endl;
cout << "DP ommin" << endl << "DP ommax \t\t Min and max frequencies to cover in smoothened DSF" << endl;
cout << "Nom \t\t\t Number of frequency points used for discretization" << endl;
cout << "DP width \t\t Gaussian width used in smoothing, in units of two-particle level spacing" << endl;
}
else { // correct nr of arguments
int ia = 1;
char whichDSF = *argv[ia++];
DP c_int = atof(argv[ia++]);
int kfact = atoi(argv[ia++]);
DP kBT = atof(argv[ia++]);
DP target_sumrule = atof(argv[ia++]);
int DiK = 1; // only do fixed momentum
DP ommin = atof(argv[ia++]);
DP ommax = atof(argv[ia++]);
int Nom = atoi(argv[ia++]);
DP width = atof(argv[ia++]);
int iN = 0;
int nN = 16;
Vect<int> Nv(nN);
// 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 iKmax = iKmin;
DP srsat = 0.0;
stringstream SRC_stringstream; string SRC_string;
Data_File_Name (SRC_stringstream, whichDSF, c_int, L, N, iKmin, iKmax, kBT, 0.0, "");
SRC_stringstream << ".src";
SRC_string = SRC_stringstream.str(); const char* SRC_Cstr = SRC_string.c_str();
fstream srcfile;
srcfile.open(SRC_Cstr, fstream::in);
if (srcfile.fail()) {
srsat = 0.0;
}
else {
srcfile >> srsat;
}
srcfile.close();
if (srsat > target_sumrule) {
// Compute the DSF
stringstream filenameprefix;
Data_File_Name (filenameprefix, whichDSF, c_int, L, N, iKmin, iKmax, kBT, 0.0, "");
string prefix = filenameprefix.str();
DP normalization = twoPI * L;
Write_K_File (L, iKmin, iKmax);
Write_Omega_File (Nom, ommin, ommax);
// We use the scaled width function as default:
DP sumcheck;
sumcheck = Smoothen_RAW_into_SF_LiebLin_Scaled (prefix, L, N, iKmin, iKmax, DiK, ommin, ommax, Nom, width, normalization);
}
} // for N
} // else if arguments given OK
return(0);
}

92
src/SCAN/General_Scan.cc
View File

@ -853,9 +853,9 @@ namespace ABACUS {
// General version for equilibrium correlators at generic (possibly finite) temperature: // General version for equilibrium correlators at generic (possibly finite) temperature:
void Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT, Scan_Info Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
int Max_Secs, DP target_sumrule, bool refine, int Max_Secs, DP target_sumrule, bool refine,
int paralevel, Vect<int> rank, Vect<int> nr_processors) int paralevel, Vect<int> rank, Vect<int> nr_processors)
{ {
// This function scans the Hilbert space of the LiebLin gas, // This function scans the Hilbert space of the LiebLin gas,
@ -960,30 +960,26 @@ namespace ABACUS {
spsfile.close(); spsfile.close();
// Perform the scan: // Perform the scan:
General_Scan (whichDSF, iKmin, iKmax, 100000000, kBT, spstate, SeedScanState, "", return General_Scan (whichDSF, iKmin, iKmax, 100000000, kBT, spstate, SeedScanState, "",
Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors); Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
return;
} }
void Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT, Scan_Info Scan_LiebLin (char whichDSF, DP c_int, DP L, int N, int iKmin, int iKmax, DP kBT,
int Max_Secs, DP target_sumrule, bool refine) int Max_Secs, DP target_sumrule, bool refine)
{ {
int paralevel = 0; int paralevel = 0;
Vect<int> rank(0,1); Vect<int> rank(0,1);
Vect<int> nr_processors(0,1); Vect<int> nr_processors(0,1);
Scan_LiebLin (whichDSF, c_int, L, N, iKmin, iKmax, kBT, Max_Secs, target_sumrule, return Scan_LiebLin (whichDSF, c_int, L, N, iKmin, iKmax, kBT, Max_Secs, target_sumrule,
refine, paralevel, rank, nr_processors); refine, paralevel, rank, nr_processors);
return;
} }
// Scanning on an excited state defined by a set of Ix2: // Scanning on an excited state defined by a set of Ix2:
void Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, string defaultScanStatename, Scan_Info Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, string defaultScanStatename,
int iKmin, int iKmax, int Max_Secs, DP target_sumrule, bool refine, int iKmin, int iKmax, int Max_Secs, DP target_sumrule, bool refine,
int paralevel, Vect<int> rank, Vect<int> nr_processors) int paralevel, Vect<int> rank, Vect<int> nr_processors)
{ {
// This function is as Scan_LiebLin for generic T defined above, except that the // This function is as Scan_LiebLin for generic T defined above, except that the
// averaging is now done on a state defined by AveragingStateIx2 // averaging is now done on a state defined by AveragingStateIx2
@ -1024,30 +1020,28 @@ namespace ABACUS {
DP kBT = 0.0; DP kBT = 0.0;
// Perform the scan: // Perform the scan:
General_Scan (whichDSF, iKmin, iKmax, 100000000, kBT, AveragingState, SeedScanState, defaultScanStatename, return General_Scan (whichDSF, iKmin, iKmax, 100000000, kBT,
Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors); AveragingState, SeedScanState, defaultScanStatename,
Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
return;
} }
// Simplified function call of the above: // Simplified function call of the above:
void Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, string defaultScanStatename, Scan_Info Scan_LiebLin (char whichDSF, LiebLin_Bethe_State AveragingState, string defaultScanStatename,
int iKmin, int iKmax, int Max_Secs, DP target_sumrule, bool refine) int iKmin, int iKmax, int Max_Secs, DP target_sumrule, bool refine)
{ {
int paralevel = 0; int paralevel = 0;
Vect<int> rank(0,1); Vect<int> rank(0,1);
Vect<int> nr_processors(0,1); Vect<int> nr_processors(0,1);
Scan_LiebLin (whichDSF, AveragingState, defaultScanStatename, iKmin, iKmax, Max_Secs, return Scan_LiebLin (whichDSF, AveragingState, defaultScanStatename, iKmin, iKmax, Max_Secs,
target_sumrule, refine, paralevel, rank, nr_processors); target_sumrule, refine, paralevel, rank, nr_processors);
return;
} }
// Scanning on a previously-defined AveragingState // Scanning on a previously-defined AveragingState
void Scan_Heis (char whichDSF, XXZ_Bethe_State& AveragingState, string defaultScanStatename, int iKmin, int iKmax, Scan_Info Scan_Heis (char whichDSF, XXZ_Bethe_State& AveragingState, string defaultScanStatename,
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors) int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine,
int paralevel, Vect<int> rank, Vect<int> nr_processors)
{ {
// General state scanning for Heisenberg chains // General state scanning for Heisenberg chains
@ -1070,8 +1064,10 @@ namespace ABACUS {
} }
// Scanning on a previously-defined AveragingState // Scanning on a previously-defined AveragingState
void Scan_Heis (char whichDSF, XXX_Bethe_State& AveragingState, string defaultScanStatename, int iKmin, int iKmax, Scan_Info Scan_Heis (char whichDSF, XXX_Bethe_State& AveragingState, string defaultScanStatename,
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors) int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine,
int paralevel, Vect<int> rank, Vect<int> nr_processors)
{ {
// General state scanning for Heisenberg chains // General state scanning for Heisenberg chains
@ -1088,14 +1084,16 @@ namespace ABACUS {
else ABACUSerror("Unknown whichDSF in Scan_Heis."); else ABACUSerror("Unknown whichDSF in Scan_Heis.");
// Now the scan itself // Now the scan itself
General_Scan (whichDSF, iKmin, iKmax, AveragingState.chain.Nsites, 0.0, AveragingState, SeedScanState, return General_Scan (whichDSF, iKmin, iKmax, AveragingState.chain.Nsites, 0.0, AveragingState, SeedScanState,
defaultScanStatename, Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors); defaultScanStatename, Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
} }
// Scanning on a previously-defined AveragingState // Scanning on a previously-defined AveragingState
void Scan_Heis (char whichDSF, XXZ_gpd_Bethe_State& AveragingState, string defaultScanStatename, int iKmin, int iKmax, Scan_Info Scan_Heis (char whichDSF, XXZ_gpd_Bethe_State& AveragingState, string defaultScanStatename,
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors) int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine,
int paralevel, Vect<int> rank, Vect<int> nr_processors)
{ {
// General state scanning for Heisenberg chains // General state scanning for Heisenberg chains
@ -1112,14 +1110,15 @@ namespace ABACUS {
else ABACUSerror("Unknown whichDSF in Scan_Heis."); else ABACUSerror("Unknown whichDSF in Scan_Heis.");
// Now the scan itself // Now the scan itself
General_Scan (whichDSF, iKmin, iKmax, AveragingState.chain.Nsites, 0.0, AveragingState, SeedScanState, return General_Scan (whichDSF, iKmin, iKmax, AveragingState.chain.Nsites, 0.0, AveragingState, SeedScanState,
defaultScanStatename, Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors); defaultScanStatename, Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
} }
void Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax, Scan_Info Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine, int paralevel, Vect<int> rank, Vect<int> nr_processors) int Max_Secs, DP target_sumrule, bool refine,
int paralevel, Vect<int> rank, Vect<int> nr_processors)
{ {
// This function scans the Hilbert space of the Heisenberg spin-1/2 chain // This function scans the Hilbert space of the Heisenberg spin-1/2 chain
// for the function identified by whichDSF. // for the function identified by whichDSF.
@ -1190,25 +1189,24 @@ namespace ABACUS {
else ABACUSerror("Unknown whichDSF in Scan_Heis."); else ABACUSerror("Unknown whichDSF in Scan_Heis.");
// Now the scan itself // Now the scan itself
General_Scan (whichDSF, iKmin, iKmax, N, 0.0, GroundState, SeedScanState, "", return General_Scan (whichDSF, iKmin, iKmax, N, 0.0, GroundState, SeedScanState, "",
Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors); Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
} }
else ABACUSerror("Delta out of range in Heis_Structure_Factor"); else ABACUSerror("Delta out of range in Heis_Structure_Factor");
return; return Scan_Info();
} }
void Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax, Scan_Info Scan_Heis (char whichDSF, DP Delta, int N, int M, int iKmin, int iKmax,
int Max_Secs, DP target_sumrule, bool refine) int Max_Secs, DP target_sumrule, bool refine)
{ {
int paralevel = 0; int paralevel = 0;
Vect<int> rank(0,1); Vect<int> rank(0,1);
Vect<int> nr_processors(0,1); Vect<int> nr_processors(0,1);
Scan_Heis (whichDSF, Delta, N, M, iKmin, iKmax, Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors); return Scan_Heis (whichDSF, Delta, N, M, iKmin, iKmax,
Max_Secs, target_sumrule, refine, paralevel, rank, nr_processors);
return;
} }

12
src/UTILS/Data_File_Name.cc
View File

@ -33,9 +33,9 @@ namespace ABACUS {
{ {
name << "LiebLin_"; name << "LiebLin_";
if (whichDSF == 'Z') name << "Z"; if (whichDSF == 'Z') name << "Z";
else if (whichDSF == 'd') name << "Rho_Rho"; else if (whichDSF == 'd') name << "rho-rho";
else if (whichDSF == 'g') name << "Psi_Psidag"; else if (whichDSF == 'g') name << "psi-psidag";
else if (whichDSF == 'o') name << "Psidag_Psi"; else if (whichDSF == 'o') name << "psidag-psi";
else if (whichDSF == 'q') name << "GeomQuench"; else if (whichDSF == 'q') name << "GeomQuench";
else if (whichDSF == '1') name << "Type_I_Exp_Data"; else if (whichDSF == '1') name << "Type_I_Exp_Data";
else if (whichDSF == 'B') name << "BECg2"; else if (whichDSF == 'B') name << "BECg2";
@ -58,9 +58,9 @@ namespace ABACUS {
{ {
name << "LiebLin_"; name << "LiebLin_";
if (whichDSF == 'Z') name << "Z"; if (whichDSF == 'Z') name << "Z";
else if (whichDSF == 'd') name << "Rho_Rho"; else if (whichDSF == 'd') name << "rho-rho";
else if (whichDSF == 'g') name << "Psi_Psidag"; else if (whichDSF == 'g') name << "psi-psidag";
else if (whichDSF == 'o') name << "Psidag_Psi"; else if (whichDSF == 'o') name << "psidag-psi";
else if (whichDSF == 'q') name << "GeomQuench"; else if (whichDSF == 'q') name << "GeomQuench";
else if (whichDSF == '1') name << "Type_I_Exp_Data"; else if (whichDSF == '1') name << "Type_I_Exp_Data";
else if (whichDSF == 'B') name << "BECg2"; else if (whichDSF == 'B') name << "BECg2";