55 lines
1.5 KiB
Gnuplot
55 lines
1.5 KiB
Gnuplot
#!/bin/gnuplot
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#r=1.1 angs
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efci=-109.27724761
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#set terminal pngcairo size 600,600 enhanced font 'Verdana,10'
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#set output 'plot_pes.png'
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set terminal postscript eps size 5.3,3.0 enhanced color \
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font 'Helvetica,18' linewidth 2
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set output 'plot.eps'
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xmin=-0.1
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xmax=3.5
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ymin=0.0
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ymax=1.0
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set grid
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#set format y "%.0e*10^{%T}"
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set format y "10^{%T}"
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#set xrange[-0.1:3.1]
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set xrange[-0.1:5.1]
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#set yrange[0.0:0.2]
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set logscale y
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set yrange[1e-5:1]
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#set yrange[1e-4:1.0]
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#set xrange[1.9:3.1]
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#set yrange[0.0:0.006]
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set style line 1 dt 1 lw 1 linecolor rgb "gray60" pt 13 ps 1.75
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set style line 3 dt 1 lw 1 linecolor rgb "light-red" pt 13 ps 1.75
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set style line 4 dt 1 lw 1 linecolor rgb "sea-green" pt 13 ps 1.75
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set style line 5 dt 2 lw 1 linecolor rgb "sea-green" pt 13 ps 1.75
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set style line 11 dt 1 lw 1.5 linecolor rgb "gray60"
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set style line 13 dt 2 lw 1.5 linecolor rgb "light-red" pt 7 ps 1.75
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set style line 14 dt 2 lw 1.5 linecolor rgb "sea-green" pt 7 ps 1.75
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set style line 15 dt 2 lw 1.5 linecolor rgb "sea-green" pt 7 ps 1.75
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set xlabel 'Computational scaling'
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set ylabel 'Energy error (Hartree)'
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plot 'r1.1_ciexc.dat' u 1:($2-efci) w lp ls 3 notitle, \
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'r1.1_oociexc.dat' u 1:($2-efci) w l ls 11 notitle, \
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'r1.1_oociexc.dat' u 1:($2-efci) w lp ls 13 notitle, \
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'r1.1_cio.dat' u 1:($2-efci) w lp ls 4 notitle, \
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'r1.1_oocio.dat' u 1:($2-efci) w l ls 11 notitle, \
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'r1.1_oocio.dat' u 1:($2-efci) w lp ls 14 notitle
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#pause -1
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