2021-11-03 18:08:46 +01:00
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#!/bin/gnuplot
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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 xrange[0.5:12.0]
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set yrange[-8.05:-7.85]
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# ZOOM:
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#set xrange[2.0:12.0]
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#set yrange[-100.05:-99.94]
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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 (Hartree)'
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plot 'pes_rhf.dat' w l ls 1 notitle, \
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'pes_s0.e2.dat' w l ls 1 notitle, \
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'pes_s2.e2.dat' w l ls 1 notitle, \
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'pes_s2.e3.dat' w l ls 1 notitle, \
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'pes_s4.e3.dat' w l ls 1 notitle, \
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'pes_s0.e4.dat' w l ls 1 notitle, \
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'pes_s2.e4.dat' w l ls 1 notitle, \
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'pes_s4.e4.dat' w l ls 1 notitle, \
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2022-01-28 20:50:37 +01:00
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'pes_CISD.dat' w l ls 3 notitle, \
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'pes_CISDT.dat' w l ls 3 notitle, \
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'pes_CISDTQ.dat' w l ls 3 notitle, \
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2021-11-03 18:08:46 +01:00
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'pes_CIo1.dat' w l ls 5 notitle, \
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'pes_CIo1.5.dat' w l ls 5 notitle, \
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'pes_CIo2.dat' w l ls 4 notitle, \
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'pes_CIo2.5.dat' w l ls 5 notitle, \
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'pes_CIo3.dat' w l ls 4 notitle, \
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'pes_fci.dat' w l ls 2 notitle
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#pause -1
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