#!/bin/gnuplot set terminal pngcairo size 600,600 enhanced font 'Verdana,10' set output 'plot_error.png' #set xrange[0.95:5.0] set xrange[0.95:10.0] # VIEW 1 #set logscale y #set yrange[1.0e-3:1.0] # VIEW 2 #set yrange[0.0:0.35] # VIEW 3 set yrange[0.0:0.15] # VIEW 4 #set yrange[0.0:0.02] set style line 1 dt 1 lw 1 linecolor rgb "gray" set style line 2 dt 1 lw 1 linecolor rgb "red" set style line 3 dt 1 lw 1 linecolor rgb "green" set style line 4 dt 1 lw 1 linecolor rgb "blue" set style line 5 dt 2 lw 1 linecolor rgb "blue" set style line 6 dt 1 lw 1 linecolor rgb "orange" set xlabel 'Distance (angstrom)' set ylabel 'Energy error (Hartree)' plot '< paste pes_fci.dat pes_rhf.dat' using 1:($4-$2) w l ls 1 notitle, \ '< paste pes_fci.dat pes_CISD.dat' using 1:($4-$2) w l ls 3 notitle, \ '< paste pes_fci.dat pes_CISDT.dat' using 1:($4-$2) w l ls 3 notitle, \ '< paste pes_fci.dat pes_CISDTQ.dat' using 1:($4-$2) w l ls 3 notitle, \ '< paste pes_fci.dat pes_CIo1.dat' using 1:($4-$2) w l ls 5 notitle, \ '< paste pes_fci.dat pes_CIo1.5.dat' using 1:($4-$2) w l ls 5 notitle, \ '< paste pes_fci.dat pes_CIo2.dat' using 1:($4-$2) w l ls 4 notitle, \ '< paste pes_fci.dat pes_CIo2.5.dat' using 1:($4-$2) w l ls 5 notitle, \ '< paste pes_fci.dat pes_CIo3.dat' using 1:($4-$2) w l ls 4 notitle, \ '< paste pes_fci.dat pes_CIo3.5.dat' using 1:($4-$2) w l ls 5 notitle, \ '< paste pes_fci.dat pes_CIo4.dat' using 1:($4-$2) w l ls 4 notitle, \ '< paste pes_fci.dat pes_pccd.dat' using 1:($4-$2) w l ls 6 notitle, \ '< paste pes_fci.dat pes_fci.dat' using 1:($4-$2) w l ls 2 notitle # '< paste pes_fci.dat pes_s0.e2.dat' using 1:($4-$2) w l ls 1 notitle, \ # '< paste pes_fci.dat pes_s2.e2.dat' using 1:($4-$2) w l ls 1 notitle, \ # '< paste pes_fci.dat pes_s2.e3.dat' using 1:($4-$2) w l ls 1 notitle, \ # '< paste pes_fci.dat pes_s4.e3.dat' using 1:($4-$2) w l ls 1 notitle, \ # '< paste pes_fci.dat pes_s0.e4.dat' using 1:($4-$2) w l ls 1 notitle, \ # '< paste pes_fci.dat pes_s2.e4.dat' using 1:($4-$2) w l ls 1 notitle, \ # '< paste pes_fci.dat pes_s4.e4.dat' using 1:($4-$2) w l ls 1 notitle, \ #pause -1