#!/bin/gnuplot #set terminal pngcairo size 600,600 enhanced font 'Verdana,10' #set output 'plot_pes.png' set xrange[0.6:7.0] set yrange[-76.30:-75.60] # ZOOM: #set xrange[0.95:1.35] #set yrange[-109.29:-109.20] 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 (Hartree)' plot 'pes_rhf.dat' w l ls 1 notitle, \ 'pes_s4.e2.dat' w l ls 3 notitle, \ 'pes_s6.e3.dat' w l ls 3 notitle, \ 'pes_s8.e4.dat' w l ls 3 notitle, \ 'pes_s10.e5.dat' w l ls 3 notitle, \ 'pes_s12.e6.dat' w l ls 3 notitle, \ 'pes_CIo1.dat' w l ls 5 notitle, \ 'pes_CIo1.5.dat' w l ls 5 notitle, \ 'pes_CIo2.dat' w l ls 4 notitle, \ 'pes_CIo2.5.dat' w l ls 5 notitle, \ 'pes_CIo3.dat' w l ls 4 notitle, \ 'pes_CIo3.5.dat' w l ls 5 notitle, \ 'pes_CIo4.dat' w l ls 4 notitle, \ 'pes_pccd.dat' w l ls 6 notitle, \ 'pes_fci.dat' w l ls 2 notitle # 'pes_s0.e2.dat' w l ls 1 notitle, \ # 'pes_s2.e2.dat' w l ls 1 notitle, \ # 'pes_s2.e3.dat' w l ls 1 notitle, \ # 'pes_s4.e3.dat' w l ls 1 notitle, \ # 'pes_s0.e4.dat' w l ls 1 notitle, \ # 'pes_s2.e4.dat' w l ls 1 notitle, \ # 'pes_s4.e4.dat' w l ls 1 notitle, \ # 'pes_s2.e5.dat' w l ls 1 notitle, \ # 'pes_s4.e5.dat' w l ls 1 notitle, \ # 'pes_s6.e5.dat' w l ls 1 notitle, \ # 'pes_s8.e5.dat' w l ls 1 notitle, \ # 'pes_s0.e6.dat' w l ls 1 notitle, \ # 'pes_s2.e6.dat' w l ls 1 notitle, \ # 'pes_s4.e6.dat' w l ls 1 notitle, \ # 'pes_s6.e6.dat' w l ls 1 notitle, \ # 'pes_s8.e6.dat' w l ls 1 notitle, \ # 'pes_s10.e6.dat' w l ls 1 notitle, \ pause -1