79 lines
2.7 KiB
Plaintext
79 lines
2.7 KiB
Plaintext
# Gnuplot script to plot the energies.
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#
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#set term pngcairo size 800,600 solid color
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#set output 'energy_conservation.png'
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set term epslatex size 14cm,10cm standalone color
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set output 'energy_conservation.tex'
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E0S = 0.263720171785176
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E0C = 0.680969247210183
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E0T = 0.393139981206627
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E0P = -1.16336568585219
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E1S = 0.168915271276422
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E1C = 0.615216219988708
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E1T = 0.318731094092091
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E1P = -1.29808304730092
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set grid
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set xlabel 'Time (LJ units)'
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set ylabel 'Relative energy deviation $(\mathcal{H}(t) - \mathcal{H}(0))/\mathcal{H}(0)$'
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set title 'Energy drift for RATTLE-M on various surfaces'
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set key opaque box top left
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set log x
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col_S = '#CC0000'
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col_C = '#00CC00'
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col_T = '#0000CC'
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col_P = '#000000'
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set multiplot
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set xrange[10:5e6]
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set yrange[-0.02:0.02]
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set ytics ( "$-2.0~10^{-2}$" -2e-2, "$-1.5~10^{-2}$" -1.5e-2, "$-1.0~10^{-2}$" -1e-2 \
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, "$-0.5~10^{-2}$" -0.5e-2, "$0$" 0, "$0.5~10^{-2}$" 0.5e-2, "$1.0~10^{-2}$" 1e-2 \
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, "$1.5~10^{-2}$" 1.5e-2, "$2.0~10^{-2}$" 2e-2 )
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plot 'long_run_lj_cut/thermo.sphere.dat' u 1:($4/E1S-1) w l lw 2 lc rgb col_S ti 'S, Truncated' \
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, 'long_run_lj_cut/thermo.cylinder.dat' u 1:($4/E1C-1) w l lw 2 lc rgb col_C ti 'C, Truncated' \
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, 'long_run_lj_cut/thermo.torus.dat' u 1:($4/E1T-1) w l lw 2 lc rgb col_T ti 'T, Truncated' \
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, 'long_run_lj_cut/thermo.plane.dat' u 1:($4/E1P-1) w l lw 2 lc rgb col_P ti 'P, Truncated' \
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, 'thermo.sphere.dat' u 1:($4/E0S-1) w p pt 2 ps 1 lc rgb col_S ti 'S, Smoothed' \
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, 'thermo.cylinder.dat' u 1:($4/E0C-1) w p pt 4 ps 1 lc rgb col_C ti 'C, Smoothed' \
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, 'thermo.torus.dat' u 1:($4/E0T-1) w p pt 6 ps 1 lc rgb col_T ti 'T, Smoothed' \
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, 'thermo.plane.dat' u 1:($4/E0P-1) w p pt 8 ps 1 lc rgb col_P ti 'P, Smoothed'
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set origin 0.285,0.106
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set size 0.55,0.4
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set object 1 rectangle from graph 0,0 to graph 1,1 fillcolor rgb "white" behind
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set xlabel ''
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set ylabel ''
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set title ''
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set xrange[10:500000]
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set yrange[-1.5e-5:1.5e-5]
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set ytics
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set format y "%0.1t 10^{%T}"
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set grid
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unset key
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#set ytics ( "$-1.5~10^{-5}$" -1.5e-5, "$-1.0~10^{-5}$" -1e-5, "$-0.5~10^{-5}$" -0.5e-5, \
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# "$0$" 0, "$0.5~10^{-5}$" 0.5e-5, "$1.0~10^{-5}$" 1.0e-5, "$1.5~10^{-5}$" 1.5e-5 )
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set ytics ( "$-1.8~10^{-5}$" -1.8e-5, "$-1.2~10^{-5}$" -1.2e-5, "$-0.6~10^{-5}$" -0.6e-5, \
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"$0$" 0, "$0.6~10^{-5}$" 0.6e-5, "$1.2~10^{-5}$" 1.2e-5, "$1.8~10^{-5}$" 1.8e-5 )
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set title 'Smoothed only' offset 0,-0.5
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plot 'thermo.sphere.dat' u 1:($4/E0S - 1) w p pt 2 ps 1 lc rgb col_S \
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, 'thermo.cylinder.dat' u 1:($4/E0C - 1) w p pt 4 ps 1 lc rgb col_C \
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, 'thermo.torus.dat' u 1:($4/E0T - 1) w p pt 6 ps 1 lc rgb col_T \
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, 'thermo.plane.dat' u 1:($4/E0P - 1) w p pt 8 ps 1 lc rgb col_P
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unset multiplot
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