92 lines
3.9 KiB
Gnuplot
92 lines
3.9 KiB
Gnuplot
#!/bin/gnuplot
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#set terminal pngcairo size 600,600 enhanced font 'Verdana,10'
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#set output 'plot_error.png'
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set terminal postscript eps size 5.3,5.3 enhanced color \
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font 'Helvetica,24' linewidth 2
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set output 'plot_error.eps'
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set encoding iso_8859_1
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###################################################################################
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###################################################################################
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# SYSTEM DEPENDENT PART:
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xmin=0.5
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xmax=6.0
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set xrange[0.5:6.0]
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ymin=1.0e-3
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ymax=1.0
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# VIEW 1
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set yrange[1.0e-3:1.0]
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#set logscale y
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set format y "10^{%T}"
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# VIEW 2
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#set yrange[0.0:0.20]
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set yrange[0.0:0.01]
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set format y "%.2f"
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###################################################################################
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###################################################################################
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if (!exists("MP_LEFT")) MP_LEFT = 0.15
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if (!exists("MP_RIGHT")) MP_RIGHT = 0.98
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if (!exists("MP_BOTTOM")) MP_BOTTOM = 0.10
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if (!exists("MP_TOP")) MP_TOP = 0.98
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if (!exists("MP_xGAP")) MP_xGAP = 0.06
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if (!exists("MP_yGAP")) MP_yGAP = 0.08
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set multiplot layout 1,2 rowsfirst \
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margins screen MP_LEFT, MP_RIGHT, MP_BOTTOM, MP_TOP spacing screen MP_xGAP, MP_yGAP
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set style line 1 dt 1 lw 3 linecolor rgb "gray60"
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set style line 2 dt 1 lw 3 linecolor rgb "black"
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set style line 3 dt 1 lw 3 linecolor rgb "light-red"
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set style line 4 dt 1 lw 3 linecolor rgb "sea-green"
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set style line 5 dt 2 lw 3 linecolor rgb "sea-green"
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set style line 6 dt 1 lw 3 linecolor rgb "orange"
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set style line 7 dt 2 lw 3 linecolor rgb "orange"
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set style line 8 dt 1 lw 3 linecolor rgb "medium-blue"
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set xlabel "Distance ({\305})"
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set ylabel 'Energy error (Hartree)'
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###################################################################################
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###################################################################################
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# SYSTEM DEPENDENT PART:
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plot '< paste pes_fci.dat pes_rhf.dat' using 1:($4-$2) w l ls 1 notitle, \
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'< paste pes_fci.dat pes_CISD.dat' using 1:($4-$2) w l ls 3 notitle, \
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'< paste pes_fci.dat pes_CISDT.dat' using 1:($4-$2) w l ls 3 notitle, \
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'< paste pes_fci.dat pes_s0.dat' using 1:($4-$2) w l ls 8 notitle, \
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'< paste pes_fci.dat pes_s2.dat' using 1:($4-$2) w l ls 8 notitle, \
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'< paste pes_fci.dat pes_s4.dat' using 1:($4-$2) w l ls 8 notitle, \
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'< paste pes_fci.dat pes_CIo1.dat' using 1:($4-$2) w l ls 4 notitle, \
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'< paste pes_fci.dat pes_CIo1.5.dat' using 1:($4-$2) w l ls 5 notitle, \
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'< paste pes_fci.dat pes_CIo2.dat' using 1:($4-$2) w l ls 4 notitle, \
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'< paste pes_fci.dat pes_CIo2.5.dat' using 1:($4-$2) w l ls 5 notitle, \
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'< paste pes_fci.dat pes_CIo3.dat' using 1:($4-$2) w l ls 4 notitle, \
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'< paste pes_fci.dat pes_fci.dat' using 1:($4-$2) w l ls 2 notitle
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unset ylabel
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set format y ""
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plot '< paste pes_fci.dat pes_rhf.dat' using 1:($4-$2) w l ls 1 notitle, \
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'< paste pes_fci.dat pes_ooCIS.dat' using 1:($4-$2) w l ls 3 notitle, \
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'< paste pes_fci.dat pes_ooCISD.dat' using 1:($4-$2) w l ls 3 notitle, \
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'< paste pes_fci.dat pes_ooCISDT.dat' using 1:($4-$2) w l ls 3 notitle, \
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'< paste pes_fci.dat pes_ooCIs0.dat' using 1:($4-$2) w l ls 8 notitle, \
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'< paste pes_fci.dat pes_ooCIs2.dat' using 1:($4-$2) w l ls 8 notitle, \
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'< paste pes_fci.dat pes_ooCIo1.dat' using 1:($4-$2) w l ls 4 notitle, \
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'< paste pes_fci.dat pes_ooCIo1.5.dat' using 1:($4-$2) w l ls 5 notitle, \
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'< paste pes_fci.dat pes_ooCIo2.dat' using 1:($4-$2) w l ls 4 notitle, \
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'< paste pes_fci.dat pes_ooCIo2.5.dat' using 1:($4-$2) w l ls 5 notitle, \
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'< paste pes_fci.dat pes_ooCIo3.dat' using 1:($4-$2) w l ls 4 notitle, \
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'< paste pes_fci.dat pes_fci.dat' using 1:($4-$2) w l ls 2 notitle
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###################################################################################
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###################################################################################
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