50 lines
2.2 KiB
Gnuplot
50 lines
2.2 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 xrange[0.95:5.0]
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set xrange[0.95:10.0]
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# VIEW 1
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#set logscale y
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#set yrange[1.0e-3:1.0]
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# VIEW 2
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#set yrange[0.0:0.35]
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# VIEW 3
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set yrange[0.0:0.15]
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# VIEW 4
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#set yrange[0.0:0.02]
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set style line 1 dt 1 lw 1 linecolor rgb "gray"
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set style line 2 dt 1 lw 1 linecolor rgb "red"
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set style line 3 dt 1 lw 1 linecolor rgb "green"
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set style line 4 dt 1 lw 1 linecolor rgb "blue"
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set style line 5 dt 2 lw 1 linecolor rgb "blue"
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set style line 6 dt 1 lw 1 linecolor rgb "orange"
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set xlabel 'Distance (angstrom)'
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set ylabel 'Energy error (Hartree)'
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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_CISDTQ.dat' using 1:($4-$2) w l ls 3 notitle, \
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'< paste pes_fci.dat pes_CIo1.dat' using 1:($4-$2) w l ls 5 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_CIo3.5.dat' using 1:($4-$2) w l ls 5 notitle, \
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'< paste pes_fci.dat pes_CIo4.dat' using 1:($4-$2) w l ls 4 notitle, \
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'< paste pes_fci.dat pes_pccd.dat' using 1:($4-$2) w l ls 6 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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# '< paste pes_fci.dat pes_s0.e2.dat' using 1:($4-$2) w l ls 1 notitle, \
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# '< paste pes_fci.dat pes_s2.e2.dat' using 1:($4-$2) w l ls 1 notitle, \
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# '< paste pes_fci.dat pes_s2.e3.dat' using 1:($4-$2) w l ls 1 notitle, \
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# '< paste pes_fci.dat pes_s4.e3.dat' using 1:($4-$2) w l ls 1 notitle, \
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# '< paste pes_fci.dat pes_s0.e4.dat' using 1:($4-$2) w l ls 1 notitle, \
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# '< paste pes_fci.dat pes_s2.e4.dat' using 1:($4-$2) w l ls 1 notitle, \
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# '< paste pes_fci.dat pes_s4.e4.dat' using 1:($4-$2) w l ls 1 notitle, \
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#pause -1
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