Add scripts for c scan with k_range

scripts/build_LiebLin_c_scan_k_range.sh

@@ -0,0 +1,87 @@
+#! /bin/zsh
+
+# For given N (L), this
+# computes the required DSF (up to required sumrule)
+# over a range of values of c_int.
+
+if [[ $# -ne 5 ]]; then
+    echo "Arguments needed: whichDSF, kBT, target_sumrule, N, nkmax (max momentum in units of kF/4)."
+    exit 1
+fi
+
+if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then
+    echo "Only the d, g and o scanning options are implemented."
+    exit 1
+fi
+
+if [[ $2 -lt 0 ]]; then
+    echo "Temperature kBT must be > 0."
+    exit 1
+fi
+
+if [[ $3 -lt 0 || $3 -gt 1 ]]; then
+    echo "Requirement: 0 < target_sumrule < 1."
+    exit 1
+fi
+
+if [[ $4 -lt 0 ]]; then
+    echo "N must be > 0."
+    exit 1
+fi
+
+if [[ $5 -lt 0 ]]; then
+    echo "nkmax must be > 0."
+    exit 1
+fi
+
+
+whichDSF=$1
+kBT=$2
+target_sumrule=$3
+N=$4
+nkmax=$5
+
+correlator='rho-rho'
+if [[ $whichDSF == 'o' ]]; then
+    correlator='psidag-psi'
+elif [[ $whichDSF == 'g' ]]; then
+    correlator='psi-psidag'
+fi
+
+iKmax=$(($nkmax * $N/8))
+
+Max_Secs=3600
+refine=0
+
+#clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
+
+# List of interactions: fractional powers of 2
+clist_raw=()
+for nc in {-128..128}
+do
+    clist_raw=($clist_raw $(( 4 * 2**($nc/16.) )))
+done
+# Now cast the integer values to true integers
+zmodload zsh/mathfunc
+clist=()
+for c in $clist_raw
+do
+    if [[ $((floor($c))) == $((ceil($c))) ]]; then
+	clist=($clist $((int($c))))
+    else
+	clist=($clist $c)
+    fi
+done
+
+basedir="$(pwd)"
+
+for c in $clist
+do
+    echo '** Starting run for c =' $c', N = '$N
+    dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_scan/k_range/k_0_to_'${(l:2::0:)nkmax}'kFo4/sr_'$target_sumrule'/store/data/N_'$N'/c_'$c
+    mkdir -p $dir
+    cd $dir
+    LiebLin_DSF $whichDSF $c $N $N 0 $iKmax $kBT $Max_Secs $target_sumrule $refine
+    cd $basedir
+    echo ' Successfully computed DSFs for c =' $c', N = '$N'.\n'
+done

scripts/build_LiebLin_c_scan_k_range_dsfs.sh

@@ -0,0 +1,92 @@
+#! /bin/zsh
+
+# For given N (L) this
+# computes the smoothened dsfs for a `build_LiebLin_c_scan_k_range` run.
+
+if [[ $# -ne 6 ]]; then
+    echo "Arguments needed: whichDSF, kBT, target_sumrule, N, nkmax (max momentum in units of kF/4), width."
+    exit 1
+fi
+
+if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then
+    echo "Only the d, g and o scanning options are implemented."
+    exit 1
+fi
+
+if [[ $2 -lt 0 ]]; then
+    echo "Temperature kBT must be > 0."
+    exit 1
+fi
+
+if [[ $3 -lt 0 || $3 -gt 1 ]]; then
+    echo "Requirement: 0 < target_sumrule < 1."
+    exit 1
+fi
+
+if [[ $4 -lt 0 ]]; then
+    echo "N must be > 0."
+    exit 1
+fi
+
+if [[ $5 -lt 0 ]]; then
+    echo "nkmax must be > 0."
+    exit 1
+fi
+
+if [[ $6 -lt 0 ]]; then
+    echo "width must be > 0."
+    exit 1
+fi
+
+
+whichDSF=$1
+kBT=$2
+target_sumrule=$3
+N=$4
+nkmax=$5
+width=$6
+
+correlator='rho-rho'
+if [[ $whichDSF == 'o' ]]; then
+    correlator='psidag-psi'
+elif [[ $whichDSF == 'g' ]]; then
+    correlator='psi-psidag'
+fi
+
+iKmax=$(($nkmax * $N/8))
+
+ommin=0
+ommax=$(($nkmax*($nkmax - 8))) # use lower branch of 1ph continuum
+Nom=1000
+
+#clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
+
+# List of interactions: fractional powers of 2
+clist_raw=()
+for nc in {-128..128}
+do
+    clist_raw=($clist_raw $(( 4 * 2**($nc/16.) )))
+done
+# Now cast the integer values to true integers
+zmodload zsh/mathfunc
+clist=()
+for c in $clist_raw
+do
+    if [[ $((floor($c))) == $((ceil($c))) ]]; then
+	clist=($clist $((int($c))))
+    else
+	clist=($clist $c)
+    fi
+done
+
+basedir="$(pwd)"
+
+for c in $clist
+do
+    echo '** Starting computation of DSFs for c =' $c', N = '$N
+    dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_scan/k_range/k_0_to_'${(l:2::0:)nkmax}'kFo4/sr_'$target_sumrule'/store/data/N_'$N'/c_'$c
+    cd $dir
+    Smoothen_LiebLin_DSF_Scaled $whichDSF $c $N $N 0 $iKmax $kBT 0 $ommin $ommax $Nom $width
+    cd $basedir
+    echo ' Successfully computed DSFs for c =' $c', N = '$N'.\n'
+done

scripts/build_LiebLin_c_scan_k_range_dsfs_plot.sh

@@ -0,0 +1,90 @@
+#! /bin/zsh
+
+# For given N (L) this
+# produces an interactive (tunable c_int) plot for S(k, \omega)
+# from data produced from `build_LiebLin_c_scan_k_range[_dsfs]` scripts.
+
+if [[ $# -ne 6 ]]; then
+    echo "Arguments needed: whichDSF, kBT, target_sumrule, N, nkmax (max momentum in units of kF/4), width."
+    exit 1
+fi
+
+if [[ $1 != 'd' && $1 != 'g' && $1 != 'o' ]]; then
+    echo "Only the d, g and o scanning options are implemented."
+    exit 1
+fi
+
+if [[ $2 -lt 0 ]]; then
+    echo "Temperature kBT must be > 0."
+    exit 1
+fi
+
+if [[ $3 -lt 0 || $3 -gt 1 ]]; then
+    echo "Requirement: 0 < target_sumrule < 1."
+    exit 1
+fi
+
+if [[ $4 -lt 0 ]]; then
+    echo "N must be > 0."
+    exit 1
+fi
+
+if [[ $5 -lt 0 ]]; then
+    echo "nkmax must be > 0."
+    exit 1
+fi
+
+if [[ $6 -lt 0 ]]; then
+    echo "width must be > 0."
+    exit 1
+fi
+
+
+whichDSF=$1
+kBT=$2
+target_sumrule=$3
+N=$4
+nkmax=$5
+width=$6
+
+correlator='rho-rho'
+if [[ $whichDSF == 'o' ]]; then
+    correlator='psidag-psi'
+elif [[ $whichDSF == 'g' ]]; then
+    correlator='psi-psidag'
+fi
+
+iKmax=$(($nkmax * $N/8))
+
+Max_Secs=3600
+refine=0
+
+#clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
+
+# List of interactions: fractional powers of 2
+clist_raw=()
+for nc in {-128..128}
+do
+    clist_raw=($clist_raw $(( 4 * 2**($nc/16.) )))
+done
+# Now cast the integer values to true integers
+zmodload zsh/mathfunc
+clist=()
+for c in $clist_raw
+do
+    if [[ $((floor($c))) == $((ceil($c))) ]]; then
+	clist=($clist $((int($c))))
+    else
+	clist=($clist $c)
+    fi
+done
+
+basedir="$(pwd)"
+
+echo '** Starting run for N = '$N
+dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_scan/k_range/k_0_to_'${(l:2::0:)nkmax}'kFo4/sr_'$target_sumrule'/store/plots'
+mkdir -p $dir
+cd $dir
+plot_c_scan_k_range_dsfs.py $N $width
+cd $basedir
+echo ' Successfully computed DSFs for N = '$N'.\n'

scripts/plot_c_scan_k_fixed_dsfs.py

@@ -53,7 +53,6 @@ fig, ax = plt.subplots()
 ax.set_xlim(omega[0], omega[-1])
 # To determine the y axis limits, we look at the lowest value of c (sharpest peak)
 dsfsmax = max(dsfs[str(clist[0])])
-print('dsfsmax = ', dsfsmax)
 
 ymax = 1.01 * dsfsmax
 ymax=4

scripts/plot_c_scan_k_range_dsfs.py

@@ -0,0 +1,83 @@
+#! /usr/bin/env python
+
+"""
+Plot DSF.
+
+Usage: python plot_dsf_k_range.py [omega file] [dsf file]
+"""
+
+import glob
+import matplotlib.pyplot as plt
+import matplotlib.animation as animation
+import numpy as np
+import os
+import sys
+
+N = str(sys.argv[1])
+width = str(sys.argv[2])
+
+
+# Get the list of interactions which have been computed
+dirlist = os.listdir('../data/N_%s' % N)
+clist = sorted([float(c.lstrip('c_')) for c in dirlist])
+
+# Get the K file
+kfile = glob.glob('../data/N_%s/c_%s*/K_*' % (N, str(clist[0]).rstrip('.0')[:12]))[0]
+k = np.loadtxt(kfile)
+
+# Get the Omega file
+omegafile = glob.glob('../data/N_%s/c_%s*/Omega*' % (N, str(clist[0]).rstrip('.0')[:12]))[0]
+omega = np.loadtxt(omegafile)
+
+# Load all the available dsfs from the data store
+dsfs = {}
+for c in clist:
+    # Do some black magic here: for matching the interaction,
+    # first try for exact match, stripping '.0' to treat integer values, e.g. 4.0 into 4
+    # and then (if it doesn't work) use only the first 12 characters, plus wildcard, to cover rounding errors
+    try:
+        dsffile = glob.glob('../data/N_%s/c_%s/*_w_%s.dsfs' % (N, str(c).rstrip('.0'), width))[0]
+    except IndexError:
+        dsffile = glob.glob('../data/N_%s/c_%s*/*_w_%s.dsfs' % (N, str(c).rstrip('.0')[:12], width))[0]
+    dsfs[str(c)] = np.loadtxt(dsffile)
+
+# Read some useful parameters from (last) file name:
+elements = dsffile.rpartition('/')[2].split('_')
+L = elements[5]
+#N = elements[7]
+iKmax = elements[14]
+width = elements[22].rpartition('.')[0]
+# which leads to
+rho = int(N)/int(L)
+#kokF = int(iK)*0.5/int(L)
+
+
+fig, ax = plt.subplots()
+
+# To determine the y axis limits, we look at the lowest value of c (sharpest peak)
+dsfsmax = 0.5
+
+ymax = omega[-1]
+xtext = 0.05 * k[-1]
+ytext = 0.9 * ymax
+
+ax.text(xtext, ytext, f'c = {clist[0]:10.6f}', color='white', fontsize='large')
+pcm = ax.pcolormesh(k, omega, dsfs[str(clist[0])], vmax=dsfsmax)
+fig.colorbar(pcm, ax=ax)
+def animate(i):
+    ax.clear()
+    ax.set_title(f'c scan, rho={rho} (N={N}), w={width}', fontsize='x-large')
+    ax.text(xtext, ytext, f'c = {clist[i]:10.6f}', color='white', fontsize='x-large')
+    ax.pcolormesh(k, omega, dsfs[str(clist[i])], vmax=dsfsmax)
+
+ani = animation.FuncAnimation(fig, animate, frames=len(clist), interval=100, repeat=False)
+
+outfilename = (dsffile.partition('_c_')[0].rpartition('/')[2] + '_c_scan_' +
+               dsffile.partition('_c_')[2].partition('_')[2].partition('.dsfs')[0])
+
+ani.save(outfilename + '.mp4')
+
+with open(outfilename + '.html', 'w') as file:
+    file.write(ani.to_html5_video())
+
+#plt.show()