Add scripts for c_int scan at fixed N, k
This commit is contained in:
bovenliggende
4b0443583d
commit
9d03fcdd66
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@ -80,7 +80,6 @@ The `Integral_result_CX Integrate_optimal_using_table` functions are not yet imp
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:END:
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* Planning (long term) :ABACUS:Dev:PlanningLT:
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:PROPERTIES:
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:ARCHIVE: %s_archive::* Planning (long term)
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@ -0,0 +1,87 @@
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#! /bin/zsh
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# For given N (L) and k_fact (multiple of kF/4), this
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# computes the required DSF (up to required sumrule)
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# over a range of values of c_int.
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if [[ $# -ne 5 ]]; then
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echo "Arguments needed: whichDSF, kBT, target_sumrule, N, nk (momentum in units of kF/4)."
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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 "N must be > 0."
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exit 1
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fi
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if [[ $5 -lt 0 ]]; then
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echo "nk 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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N=$4
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nk=$5
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correlator='rho-rho'
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if [[ $whichDSF == 'o' ]]; then
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correlator='psidag-psi'
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elif [[ $whichDSF == 'g' ]]; then
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correlator='psi-psidag'
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fi
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iK=$(($nk * $N/8))
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Max_Secs=3600
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refine=0
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#clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
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# List of interactions: fractional powers of 2
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clist_raw=()
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for nc in {-128..128}
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do
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clist_raw=($clist_raw $(( 4 * 2**($nc/16.) )))
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done
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# Now cast the integer values to true integers
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zmodload zsh/mathfunc
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clist=()
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for c in $clist_raw
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do
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if [[ $((floor($c))) == $((ceil($c))) ]]; then
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clist=($clist $((int($c))))
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else
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clist=($clist $c)
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fi
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done
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basedir="$(pwd)"
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for c in $clist
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do
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echo '** Starting run for c =' $c', N = '$N
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dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_scan/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule'/N_'$N'/data/store/c_'$c
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mkdir -p $dir
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cd $dir
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LiebLin_DSF $whichDSF $c $N $N $iK $iK $kBT $Max_Secs $target_sumrule $refine
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cd $basedir
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echo ' Successfully computed DSFs for c =' $c', N = '$N'.\n'
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done
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@ -0,0 +1,92 @@
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#! /bin/zsh
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# For given N (L) and k_fact (multiple of kF/4), this
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# computes the smoothened dsfs for a `build_LiebLin_c_scan_k_fixed` run.
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if [[ $# -ne 6 ]]; then
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echo "Arguments needed: whichDSF, kBT, target_sumrule, N, nk (momentum in units of kF/4), 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 "N must be > 0."
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exit 1
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fi
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if [[ $5 -lt 0 ]]; then
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echo "nk must be > 0."
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exit 1
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fi
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if [[ $6 -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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N=$4
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nk=$5
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width=$6
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correlator='rho-rho'
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if [[ $whichDSF == 'o' ]]; then
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correlator='psidag-psi'
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elif [[ $whichDSF == 'g' ]]; then
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correlator='psi-psidag'
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fi
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iK=$(($nk * $N/8))
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ommin=0
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ommax=$(($nk*($nk + 8)))
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Nom=1000
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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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# List of interactions: fractional powers of 2
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clist_raw=()
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for nc in {-128..128}
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do
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clist_raw=($clist_raw $(( 4 * 2**($nc/16.) )))
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done
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# Now cast the integer values to true integers
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zmodload zsh/mathfunc
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clist=()
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for c in $clist_raw
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do
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if [[ $((floor($c))) == $((ceil($c))) ]]; then
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clist=($clist $((int($c))))
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else
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clist=($clist $c)
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fi
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done
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basedir="$(pwd)"
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for c in $clist
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do
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echo '** Starting computation of DSFs for c =' $c', N = '$N
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dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_scan/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule'/N_'$N'/data/store/c_'$c
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cd $dir
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Smoothen_LiebLin_DSF_Scaled $whichDSF $c $N $N $iK $iK $kBT 0 $ommin $ommax $Nom $width
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cd $basedir
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echo ' Successfully computed DSFs for c =' $c', N = '$N'.\n'
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done
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@ -0,0 +1,90 @@
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#! /bin/zsh
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# For given N (L) and k_fact (multiple of kF/4), this
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# produces an interactive (tunable c_int) plot for S(k, \omega)
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# from data produced from `build_LiebLin_c_scan_k_fixed[_dsfs]` scripts.
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if [[ $# -ne 6 ]]; then
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echo "Arguments needed: whichDSF, kBT, target_sumrule, N, nk (momentum in units of kF/4), 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 "N must be > 0."
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exit 1
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fi
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if [[ $5 -lt 0 ]]; then
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echo "nk must be > 0."
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exit 1
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fi
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if [[ $6 -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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N=$4
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nk=$5
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width=$6
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correlator='rho-rho'
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if [[ $whichDSF == 'o' ]]; then
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correlator='psidag-psi'
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elif [[ $whichDSF == 'g' ]]; then
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correlator='psi-psidag'
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fi
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iK=$(($nk * $N/8))
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Max_Secs=3600
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refine=0
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#clist=(1024 512 256 128 64 32 16 8 4 2 1 0.5 0.25 0.125 0.0625 0.03125 0.015625)
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# List of interactions: fractional powers of 2
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clist_raw=()
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for nc in {-128..128}
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do
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clist_raw=($clist_raw $(( 4 * 2**($nc/16.) )))
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done
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# Now cast the integer values to true integers
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zmodload zsh/mathfunc
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clist=()
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for c in $clist_raw
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do
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if [[ $((floor($c))) == $((ceil($c))) ]]; then
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clist=($clist $((int($c))))
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else
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clist=($clist $c)
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fi
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done
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basedir="$(pwd)"
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echo '** Starting run for N = '$N
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dir='Lieb-Liniger/'$correlator'/T_'$kBT'/c_scan/k_fixed/k_'${(l:2::0:)nk}'kFo4/sr_'$target_sumrule'/N_'$N'/data/plots'
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mkdir -p $dir
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cd $dir
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plot_c_scan_k_fixed_dsfs.py $width
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cd $basedir
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echo ' Successfully computed DSFs for N = '$N'.\n'
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@ -0,0 +1,70 @@
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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 glob
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import matplotlib.pyplot as plt
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import matplotlib.animation as animation
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import numpy as np
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import os
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import sys
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width = str(sys.argv[1])
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# Get the list of interactions which have been computed
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dirlist = os.listdir('../store/')
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clist = sorted([float(c.lstrip('c_')) for c in dirlist])
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# Get the Omega file
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omegafile = glob.glob('../store/c_%s*/Omega*' % str(clist[0]).rstrip('.0')[:12])[0]
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omega = np.loadtxt(omegafile)
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# Load all the available dsfs from the data store
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dsfs = {}
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for c in clist:
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# Do some black magic here: for matching the interaction,
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# first try for exact match, stripping '.0' to treat integer values, e.g. 4.0 into 4
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# and then (if it doesn't work) use only the first 12 characters, plus wildcard, to cover rounding errors
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try:
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dsffile = glob.glob('../store/c_%s/*_w_%s.dsfs' % (str(c).rstrip('.0'), width))[0]
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except IndexError:
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dsffile = glob.glob('../store/c_%s*/*_w_%s.dsfs' % (str(c).rstrip('.0')[:12], width))[0]
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dsfs[str(c)] = np.loadtxt(dsffile)
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fig, ax = plt.subplots()
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ax.set_xlim(omega[0], omega[-1])
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# To determine the y axis limits, we look at the lowest value of c (sharpest peak)
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dsfsmax = max(dsfs[str(clist[0])])
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print('dsfsmax = ', dsfsmax)
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ymax = 1.2 * dsfsmax
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xtext = 0.6 * omega[-1]
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ytext = 1.1 * dsfsmax
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ax.set_ylim([0, ymax])
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ax.text(xtext, ytext, f'c = {clist[0]}')
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ax.plot(omega, dsfs[str(clist[0])])
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def animate(i):
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ax.clear()
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ax.set_xlim(omega[0], omega[-1])
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ax.set_ylim([0, ymax])
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ax.text(xtext, ytext, f'c = {clist[i]:10.6f}')
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ax.plot(omega, dsfs[str(clist[i])])
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ani = animation.FuncAnimation(fig, animate, frames=len(clist), interval=100, repeat=False)
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outfilename = (dsffile.partition('_c_')[0].rpartition('/')[2] + '_c_scan_' +
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dsffile.partition('_c_')[2].partition('_')[2].partition('.dsfs')[0])
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ani.save(outfilename + '.mp4')
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with open(outfilename + '.html', 'w') as file:
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file.write(ani.to_html5_video())
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#plt.show()
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@ -42,12 +42,12 @@ namespace ABACUS {
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else if (whichDSF == 'C') name << "BECoverlap";
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else ABACUSerror("Option not implemented in Data_File_Name");
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name << "_c_" << c_int << "_L_" << L << "_N_" << N;
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name << "_c_" << setprecision(16) << c_int << "_L_" << L << "_N_" << N;
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if (defaultScanStatename == "") name << "_" << N << "_0_"; // simulates label of ground state
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else name << "_" << defaultScanStatename;
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if (iKmin == iKmax) name << "_iK_" << iKmin;
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else name << "_iKmin_" << iKmin << "_iKmax_" << iKmax;
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if (kBT > 0.0) name << "_kBT_" << kBT;
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if (kBT > 0.0) name << "_kBT_" << setprecision(16) << kBT;
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if (whichDSF == 'q') name << "_L2_" << L2;
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return;
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@ -67,11 +67,11 @@ namespace ABACUS {
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else if (whichDSF == 'C') name << "BECoverlap";
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else ABACUSerror("Option not implemented in Data_File_Name");
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name << "_c_" << State.c_int << "_L_" << State.L << "_N_" << State.N;
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name << "_c_" << setprecision(16) << State.c_int << "_L_" << State.L << "_N_" << State.N;
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if (defaultScanStatename == "") name << "_" << State.label;
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else name << "_" << defaultScanStatename;
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if (iKmin == iKmax) name << "_iK_" << iKmin; else name << "_iKmin_" << iKmin << "_iKmax_" << iKmax;
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if (kBT > 0.0) name << "_kBT_" << kBT;
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if (kBT > 0.0) name << "_kBT_" << setprecision(16) << kBT;
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if (whichDSF == 'q') name << "_L2_" << RefScanState.L;
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return;
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ABACUSerror("Option not implemented in Data_File_Name");
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}
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name << "_D_" << Delta << "_N_" << N << "_M_";
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name << "_D_" << setprecision(16) << Delta << "_N_" << N << "_M_";
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for (int i = 0; i < int(log10(DP(N/2))) - int(log10(DP(M))); ++i) name << "0";
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name << M;
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if (defaultScanStatename == "") name << "_" << M << "_0_"; // simulates label of ground state
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else name << "_" << defaultScanStatename;
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if (kBT > 0.0) name << "_kBT_" << kBT;
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if (kBT > 0.0) name << "_kBT_" << setprecision(16) << kBT;
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if (whichDSF == 'q') name << "_N2_" << N2;
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return;
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ABACUSerror("Option not implemented in Data_File_Name");
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}
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name << "_D_" << State.chain.Delta << "_N_" << State.chain.Nsites << "_M_";
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name << "_D_" << setprecision(16) << State.chain.Delta << "_N_" << State.chain.Nsites << "_M_";
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for (int i = 0; i < int(log10(DP(State.chain.Nsites/2))) - int(log10(DP(State.base.Mdown))); ++i) name << "0";
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name << State.base.Mdown;
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if (defaultScanStatename == "") name << "_" << State.label;
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else name << "_" << defaultScanStatename;
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if (kBT > 0.0) name << "_kBT_" << kBT;
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if (kBT > 0.0) name << "_kBT_" << setprecision(16) << kBT;
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if (whichDSF == 'q') name << "_N2_" << RefScanState.chain.Nsites;
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return;
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