Add further plotting scripts
This commit is contained in:
Jean-Sébastien
rodič
17630bcb34
revize
d9a1d4be1c
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@ -1,3 +1,4 @@
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#! /usr/bin/env python
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import argparse
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import plotly.graph_objects as go
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import numpy
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@ -16,5 +17,3 @@ y = [d for d in dsf]
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fig = go.Figure(data=go.Scatter(x=x, y=y))
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fig.update_layout(title=args.dsffile.rpartition('/')[2])
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fig.show()
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@ -11,28 +11,28 @@
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if [[ $# -ne 4 ]]; then
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echo "Arguments needed: whichDSF, kBT, target_sumrule, nr_minutes (for each c, k combination)."
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exit 1
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echo "Arguments needed: whichDSF, kBT, target_sumrule, nr_minutes (for each c, k combination)."
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exit 1
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fi
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if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then
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echo "Only the d, g and o scanning options are implemented."
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exit 1
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echo "Only the d, g and o scanning options are implemented."
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exit 1
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fi
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if [[ $2 -lt 0 ]]; then
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echo "Temperature kBT must be > 0."
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exit 1
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echo "Temperature kBT must be > 0."
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exit 1
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fi
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if [[ $3 -lt 0 || $3 -gt 1 ]]; then
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echo "Requirement: 0 < target_sumrule < 1."
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exit 1
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echo "Requirement: 0 < target_sumrule < 1."
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exit 1
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fi
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if [[ $4 -lt 1 ]]; then
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echo "Please give a positive nr_minutes."
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exit 1
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echo "Please give a positive nr_minutes."
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exit 1
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fi
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zmodload zsh/datetime
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@ -52,15 +52,14 @@ basedir="$(pwd)"
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for c in $clist
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do
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for nk in {1..16}
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do
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echo 'Starting run for c =' $c', kfact = '$nk | tee -a $logfile
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dir='c_'$c'/kBT_'$kBT'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule
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echo $dir
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mkdir -p $dir
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cd $dir
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LiebLin_Catalogue_Fixed_c_k_Nscaling $whichDSF $c $nk $kBT $target_sumrule 0 $nr_minutes | tee -a $basedir/$logfile
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cd $basedir
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echo ' Successfully completed run for c =' $c', kfact = '$nk'\n' | tee -a $logfile
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done
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for nk in {1..16}
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do
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echo 'Starting run for c =' $c', kfact = '$nk | tee -a $logfile
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dir='c_'$c'/kBT_'$kBT'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule
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mkdir -p $dir
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cd $dir
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LiebLin_Catalogue_Fixed_c_k_Nscaling $whichDSF $c $nk $kBT $target_sumrule 0 $nr_minutes | tee -a $basedir/$logfile
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cd $basedir
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echo ' Successfully completed run for c =' $c', kfact = '$nk'\n' | tee -a $logfile
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done
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done
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@ -0,0 +1,68 @@
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#! /bin/zsh
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# We use zsh here to support floats (not supported in bash)
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# This script produces the .dsf files for the runs from `build_LiebLin_catalogue_k_fixed`
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# runs which achieved the required sumrule saturation.
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if [[ $# -ne 4 ]]; then
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echo "Arguments needed: whichDSF, kBT, target_sumrule, width."
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exit 1
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fi
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if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then
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echo "Only the d, g and o scanning options are implemented."
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exit 1
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fi
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if [[ $2 -lt 0 ]]; then
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echo "Temperature kBT must be > 0."
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exit 1
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fi
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if [[ $3 -lt 0 || $3 -gt 1 ]]; then
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echo "Requirement: 0 < target_sumrule < 1."
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exit 1
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fi
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if [[ $4 -lt 0 ]]; then
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echo "width must be > 0."
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exit 1
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fi
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whichDSF=$1
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kBT=$2
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target_sumrule=$3
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width=$4
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clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
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basedir="$(pwd)"
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for c in $clist
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do
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for nk in {1..16}
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do
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# ommin is set to zero for all
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ommin=0
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# ommax is set to about 2x the Tonks-Girardeau dispersion at this momentum:
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# w_TG = k^2 + 2\pi n |k| with k=2pi*iK/L and iK=nk*N/8, so (with N=L) k=pi/4 nk and
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# w_TG = pi^2/16 nk^2 + pi^2/2 nk = pi^2 nk (nk/16 + 1/2)
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# We take pi^2 -> 8 for convenience, so 2*w_TG is about
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ommax=$(($nk*($nk + 8)))
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# Number of points:
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Nom=1000
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echo 'Starting computation of DSFs for c =' $c', kfact = '$nk | tee -a $logfile
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dir='c_'$c'/kBT_'$kBT'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule
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cd $dir
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echo $dir
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mkdir -p plots/
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LiebLin_Catalogue_Fixed_c_k_Nscaling_Smoothen_DSF $whichDSF $c $nk $kBT $target_sumrule $ommin $ommax $Nom $width
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mv *dsfs plots/
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mv K_* plots/
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mv Omega_* plots/
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cd $basedir
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echo ' Successfully computed DSFs for c =' $c', kfact = '$nk'\n' | tee -a $logfile
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done
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done
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@ -0,0 +1,69 @@
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#! /bin/zsh
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# We use zsh here to support floats (not supported in bash)
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# This script produces the plots for the runs from `build_LiebLin_catalogue_k_fixed`
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# runs which achieved the required sumrule saturation.
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if [[ $# -ne 3 ]]; then
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echo "Arguments needed: whichDSF, kBT, target_sumrule."
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exit 1
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fi
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if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then
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echo "Only the d, g and o scanning options are implemented."
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exit 1
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fi
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if [[ $2 -lt 0 ]]; then
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echo "Temperature kBT must be > 0."
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exit 1
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fi
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if [[ $3 -lt 0 || $3 -gt 1 ]]; then
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echo "Requirement: 0 < target_sumrule < 1."
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exit 1
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fi
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whichDSF=$1
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kBT=$2
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target_sumrule=$3
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width=$4
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clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
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basedir="$(pwd)"
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for c in $clist
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do
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for nk in {1..16}
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do
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echo 'Starting plotting of DSFs for c =' $c', kfact = '$nk | tee -a $logfile
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dir='c_'$c'/kBT_'$kBT'/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule'/plots'
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cd $dir
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dirlist="$(ls)"
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# Find the Omega file
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for file in *
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do
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if [[ $file = Omega* ]]; then
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omegafile=$file
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fi
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done
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echo 'Omega file: ' $omegafile
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# For each .dsfs file, plot
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for file in *
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do
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if [[ $file = LiebLin*dsfs ]]; then
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echo 'Found file ' $file
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# invoke the python script
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plot_dsf_k_fixed.py $omegafile $file
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fi
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done
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cd $basedir
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echo ' Successfully plotted DSFs for c =' $c', kfact = '$nk'\n' | tee -a $logfile
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done
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done
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@ -1,5 +1,5 @@
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"""
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Plots benchmark files produced from Benchmark_RAW_File.
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Plot benchmark files produced from Benchmark_RAW_File.
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Usage: python plot_benchmarks.py [benchmark file name].
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@ -0,0 +1,36 @@
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#! /usr/bin/env python
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"""
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Plot fixed momentum DSF.
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Usage: python plot_dsf_k_fixed.py [omega file] [dsf file]
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"""
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import matplotlib.pyplot as plt
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import numpy as np
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import sys
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omegafile = str(sys.argv[1])
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dsffile = str(sys.argv[2])
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omega = np.loadtxt(omegafile)
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dsf = np.loadtxt(dsffile)
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plt.plot(omega, dsf)
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plt.xlabel('$\omega$')
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plt.ylabel('$S (k, \omega)$')
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elements = dsffile.split('_')
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c_int = elements[4]
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L = elements[6]
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N = elements[8]
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iK = elements[13]
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width = elements[23].partition('.')[0]
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rho = int(N)/int(L)
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kokF = int(iK)*0.5/int(L)
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plt.title(f'c={c_int}, rho={rho} (N={N}), k={kokF}k_F, w={width}')
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plt.savefig(dsffile.replace('.', '_') + '.png')
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@ -0,0 +1,109 @@
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/**********************************************************
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This software is part of J.-S. Caux's ABACUS library.
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Copyright (c) J.-S. Caux.
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-----------------------------------------------------------
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File: LiebLin_Catalogue_Fixed_c_k_Nscaling_Smoothen_DSF.cc
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Purpose: Produces smoothened DSF for output from LiebLin_Catalogue_Fixed_c_k_Nscaling.cc
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***********************************************************/
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#include <omp.h>
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#include "ABACUS.h"
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using namespace std;
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using namespace ABACUS;
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int main(int argc, char* argv[])
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{
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if (argc != 10) { // provide some info
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cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl;
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cout << endl << "Usage of LiebLin_Catalogue_Fixed_c_k_Nscaling_Smoothen_DSF executable: " << endl;
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cout << endl << "Provide the following arguments:" << endl << endl;
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cout << "char whichDSF \t\t Which structure factor should be calculated ? Options are: "
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"d for rho rho, g for psi psi{dagger}, o for psi{dagger} psi" << endl;
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cout << "DP c_int \t\t Value of the interaction parameter: use positive real values only" << endl;
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cout << "int kfact \t\t momentum factor: momemntum will be set to kfact * kF/4" << endl;
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cout << "DP kBT \t\t Temperature (positive only of course)" << endl;
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cout << "DP target_sumrule \t sumrule saturation you're satisfied with" << endl;
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cout << "DP ommin" << endl << "DP ommax \t\t Min and max frequencies to cover in smoothened DSF" << endl;
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cout << "Nom \t\t\t Number of frequency points used for discretization" << endl;
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cout << "DP width \t\t Gaussian width used in smoothing, in units of two-particle level spacing" << endl;
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}
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else { // correct nr of arguments
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int ia = 1;
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char whichDSF = *argv[ia++];
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DP c_int = atof(argv[ia++]);
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int kfact = atoi(argv[ia++]);
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DP kBT = atof(argv[ia++]);
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DP target_sumrule = atof(argv[ia++]);
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int DiK = 1; // only do fixed momentum
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DP ommin = atof(argv[ia++]);
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DP ommax = atof(argv[ia++]);
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int Nom = atoi(argv[ia++]);
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DP width = atof(argv[ia++]);
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int iN = 0;
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int nN = 16;
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Vect<int> Nv(nN);
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// Multiples of 32 up to 256
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for (int i = 1; i <= 8; ++i) Nv[i-1] = 32*i;
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// Then steps of 64 up to 512
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for (int i = 1; i <= 4; ++i) Nv[7+i] = 256 + 64*i;
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// Then steps of 128 up to 1024
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for (int i = 1; i <= 4; ++i) Nv[11+i] = 512 + 128*i;
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for (int iN = 0; iN < nN; ++iN) {
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int N = Nv[iN];
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DP L = N;
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int iKmin = (kfact * N)/8;
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int iKmax = iKmin;
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DP srsat = 0.0;
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stringstream SRC_stringstream; string SRC_string;
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Data_File_Name (SRC_stringstream, whichDSF, c_int, L, N, iKmin, iKmax, kBT, 0.0, "");
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SRC_stringstream << ".src";
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SRC_string = SRC_stringstream.str(); const char* SRC_Cstr = SRC_string.c_str();
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fstream srcfile;
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srcfile.open(SRC_Cstr, fstream::in);
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if (srcfile.fail()) {
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srsat = 0.0;
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}
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else {
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srcfile >> srsat;
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}
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srcfile.close();
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if (srsat > target_sumrule) {
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// Compute the DSF
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stringstream filenameprefix;
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Data_File_Name (filenameprefix, whichDSF, c_int, L, N, iKmin, iKmax, kBT, 0.0, "");
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string prefix = filenameprefix.str();
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DP normalization = twoPI * L;
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Write_K_File (L, iKmin, iKmax);
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Write_Omega_File (Nom, ommin, ommax);
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// We use the scaled width function as default:
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DP sumcheck;
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sumcheck = Smoothen_RAW_into_SF_LiebLin_Scaled (prefix, L, N, iKmin, iKmax, DiK, ommin, ommax, Nom, width, normalization);
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}
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} // for N
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} // else if arguments given OK
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return(0);
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}
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