mirror of https://github.com/QMCPACK/qmcpack.git
35 lines
666 B
Gnuplot
35 lines
666 B
Gnuplot
#set terminal png size 400,300
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#set output 'timestep_vs_autocorrelation_energy_H_STO-2G.png'
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TOP = 0.98
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DY = 0.42
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unset key
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set multiplot
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set xrange [0.00005:20]
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set logscale x
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#Total energy
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set xlabel "Time step (1/hartree)"
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set yrange [-0.495:-0.435]
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set tmargin at screen TOP-DY
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set bmargin at screen TOP-2*DY
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set ytics -0.49,0.01,-0.44
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set ylabel "E_total\n(hartree)"
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plot "H.dat" using 1:2:4 with errorbars
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#Autocorrelation
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set xtics format ''
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unset xlabel
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set yrange [0:15]
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set tmargin at screen TOP
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set bmargin at screen TOP-DY
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set ytics 1,2,14
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set ylabel "Autocorrelation\n(1/hartree)" offset -2
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plot "H.dat" using 1:5
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unset multiplot
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pause -1
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