27 lines
554 B
Gnuplot
27 lines
554 B
Gnuplot
#!/usr/bin/env gnuplot
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reset
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set grid
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set xlabel "Wall clock time (seconds)"
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set ylabel "Energy (au)"
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set format y "%10.4f"
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set term pdfcairo enhanced font "Times,14" linewidth 2 rounded size 5.0in, 3.0in
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set output 'benzene_tz.pdf'
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set style fill transparent solid 0.50 border
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set yrange [-231.8068:-231.8042]
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data='benzene.dat'
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tmax=102.592093944550 * 0.01
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set xrange [0:tmax*100]
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plot data i 0 u ($3*tmax):($1+$2):($1-$2) w filledcurves ls 1 notitle, \
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data i 0 u ($3*tmax):($1) w l ls 1 notitle , \
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-231.805731383683 notitle ls 3
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