Gnuplot

# PRINT SYMBOL AND SUBSCRIPT/SUPERSCRIPT
set terminal postscript eps enhanced mono lw 1 "Helvetica" 28 size 6.0,4.0
set ylabel "{/Symbol q} [deg cm^2 dmol^{-1}]"      

# Print anstrom:
set encoding iso_8859_1        
set ylabel "RMSD [\305]"

# PRINT in png file
set term png
set output "energies.png"

# Fixar o tamanho do gráfico
set bmargin 1.5
set lmargin 1
set rmargin 1
set tmargin 1

# REMOVE X/Y TICS
set xtics ""
set ytics ""

set xtics 0.5
set ytics 0.3

# REMOVE LABELS
set format x ""
set format y ""
#REINTRODUCE LABELS AND SCALE
set format x

# Exponential
# exponential format: XXe+0X
set format x "%6.0e"

# XTICS
set xtics ("April" 1, "May" 2, "June" 3, "July" 4)

set xtics 10000

# EIXOS CARTESIANOS

set {x|x2|y|y2|z}zeroaxis { {linestyle | ls }
                                | { linetype | lt }
                                  { linewidth | lw }}
     unset {x|x2|y|y2|z}zeroaxis
     show {x|y|z}zeroaxis

set xzeroaxis ls 5 lt 3 lw 1.5

set yzeroaxis ls 5 lt 3 lw 1.5

# shell script

#!/bin/sh
gnuplot << EOF
set format x "%.1e"
set term png  lw 1 font 'Verdana,5'
set output "Mult.png"
set yrange [1.5:4]
set xrange [0:3513]
set multiplot layout 2,2
p "Cu-DC21_O1P.dat" u 1:2 w l lc -1 # cor preta lc -1
p "Cu-DC21_O2P.dat" u 1:2 w l
p "Cu-DC20_O1P.dat" u 1:2 w l
p "Cu-DC20_O2P.dat" u 1:2 w l

EOF
display Mult.png

# plotar mais de uma coluna num único arquivo
plot 'test.dat' title 'data', \
     ' ' u ($1-dx):(d($2)) title '1-variable derivative', \
     ' ' u ($1-dx):(d2($1,$2)) title '2-variable derivative', \
     ' ' u ($1-dx):(d2($1,$2)) smooth csplines title '2-variable derivative (smoothed)'



p "1.out" u 1:2 t "" w lines lt 1 lw 5

set multiplot layout 5,5
set tics scale 0 # scale of tics, 0 is without tics
set bmargin 1.5
set lmargin 1
set rmargin 1
set tmargin 1
# set title "TDDFT calculation"
set xrange [2:4]
set yrange [0:0.35]
# set xtics offset 0,graph 0.05 #position of the x label
set ytics offset 0,graph 0.1
#set xtics 0.5
#set ytics 0.3
set xlabel ""
set ylabel ""

# remove the legend, x and y labels
#set nokey
set format x ""
set format y ""

#change the tics marks and tics labels
set format x
set format y
set ytics offset 0,graph 0.1
set xtics 0.5
set ytics 0.3



XXXXXXXXXXXXXXXXXXXXXXXXXXX
XXXXXX PLOT ENERGIES FILE XXXXX
XXXXXXXXXXXXXXXXXXXXXXXXXXX

set term png
set output "energies.png"

set multiplot layout 2,3 title ""
set bmargin 3
#set xtics 20000
#set format x "%6.0e"
plot "ENERGIES" u 1:3 t "TEMPERATURE" w l
plot "ENERGIES" u 1:2 t "EKINC" w l
plot "ENERGIES" u 1:4 t "EKS" w l
plot "ENERGIES" u 1:5 t "ECLASSIC" w l
plot "ENERGIES" u 1:6 t "EHAM:conserved ?" w l


set multiplot layout 1,2 title ""
set bmargin 3
set yrange [-0.5:4.5]
plot "ENERGIES" u 1:($5-$4) t "Enuclei" w l, "ENERGIES" u 1:(5*$2) t "5xEkinc" w l
set yrange [-82:-75.0]
plot "ENERGIES" u 1:4 t "EKS" w l, "ENERGIES" u 1:5 t "ECLASSIC" w l, "ENERGIES" u 1:6 t "EHAM:conserved ?" w l




set multiplot layout 2,3 title ""
set bmargin 3
plot "ENERGIES" u 1:2 t "EKINC" w l
plot "ENERGIES" u 1:3 t "TEMPERATURE" w l
plot "ENERGIES" u 1:4 t "EKS" w l, "ENERGIES" u 1:5 t "ECLASSIC" w l, "ENERGIES" u 1:6 t "EHAM:conserved ?" w l




XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
XXXXXX PLOT ELECTRONIC SPECTRA XXXXX
XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX


grep "f=" tddft_original.out | awk '{print $3,$6}' > 1.txt
gnuplot
set title "TDDFT calculation"
set xlabel ""
set ylabel "Transition (eV)"
plot "1.txt" u 1:2 title "Absorsion" w impulses




XXXXXXXXX OTHERS XXXXXXXXXXXXXXXX
exponential format: XXe+0X
set format x "%6.0e"

set term png
set output "energies.png"


set xtics ("April" 1, "May" 2, "June" 3, "July" 4)

set xtics 10000

plot "test.dat" using 1:2:3 with yerrorbars
plot "test.dat" using 1:2:3 with xerrorbars


Create a title:                  > set title "Force-Deflection Data"
Put a label on the x-axis:       > set xlabel "Deflection (meters)"
Put a label on the y-axis:       > set ylabel "Force (kN)"
Change the x-axis range:         > set xrange [0.001:0.005]
Change the y-axis range:         > set yrange [20:500]
Have Gnuplot determine ranges:   > set autoscale
Put a label on the plot:         > set label "yield point" at 0.003, 260
Change the tic-marks:            >
set xtics 3000
set xtic ("0" 0,"3" 3000,"6" 6000,"9" 9000,"12" 12000,"15" 15000)
Move the key:                    > set key 0.01,100
Delete the Label line:           > unset key


set terminal postscript eps color lw 3 "Helvetica" 20
set output "spectra.eps"

#SOMAR COLUNA
 awk '{ soma = soma + $7} END {print soma} ' < cu.mol2

gnuplot
set multiplot
set xlabel ""
set ylabel ""
set size 1,0.2
set format x ""
set origin 0.0,0.8; plot "ENERGIES" u 1:2 t "EKINC" w l
set origin 0.0,0.6; plot "ENERGIES" u 1:3 t "TEMPERATURE" w l
set origin 0.0,0.4; plot "ENERGIES" u 1:4 t "EKS" w l
set origin 0.0,0.2; plot "ENERGIES" u 1:5 t "ECLASSIC" w l
set title "/local/GRS/Users/claudia/faceAB/5_TDDFT/CINCO/VEINTE"
set format x " %10.0f"
set xlabel "n steps"
set origin 0.0,0.0; plot "ENERGIES" u 1:6 t "EHAM:conserved ?" w l



#####
DOS

gnuplot
set terminal postscript eps color lw 2 "Helvetica" 20
set xrange [-13.75:-11.75]
#set multiplot layout 2,2
set output "apyhist.eps"
p  "./apyhist.txt" u 1:4 w l lw 4 lt 1  lc 9 t "Copper", "./apyhist.txt" u 1:5 w l lw 4 lt 1 lc 9 t "", "./apyhist.txt" u 1:6 w l lw 4 lt 1 lc 1 t "Coordinating Atoms", "./apyhist.txt" u 1:7 w l lw 4 lt 1 lc 1 t "", "./apyhist.txt" u 1:2 w l lw 4 lt 2 t "Total", "./apyhist.txt" u 1:3 w l lw 4 lt 2 t ""
set output "apzhist.eps"
p  "./apzhist.txt" u 1:4 w l lw 4 lt 1  lc 9 t "Copper", "./apzhist.txt" u 1:5 w l lw 4 lt 1 lc 9 t "", "./apzhist.txt" u 1:6 w l lw 4 lt 1 lc 1 t "Coordinating Atoms", "./apzhist.txt" u 1:7 w l lw 4 lt 1 lc 1 t "", "./apzhist.txt" u 1:2 w l lw 4 lt 2 t "Total", "./apzhist.txt" u 1:3 w l lw 4 lt 2 t ""
set output "apyepyt.eps"
p  "./apyepy.txt" u 1:4 w l lw 4 lt 1  lc 9 t "Copper", "./apyepy.txt" u 1:5 w l lw 4 lt 1 lc 9 t "", "./apyepy.txt" u 1:6 w l lw 4 lt 1 lc 1 t "Coordinating Atoms", "./apyepy.txt" u 1:7 w l lw 4 lt 1 lc 1 t "", "./apyepy.txt" u 1:2 w l lw 4 lt 2 t "Total", "./apyepy.txt" u 1:3 w l lw 4 lt 2 t ""
set output "apzepy.eps"
p  "./apzepy.txt" u 1:4 w l lw 4 lt 1  lc 9 t "Copper", "./apzepy.txt" u 1:5 w l lw 4 lt 1 lc 9 t "", "./apzepy.txt" u 1:6 w l lw 4 lt 1 lc 1 t "Coordinating Atoms", "./apzepy.txt" u 1:7 w l lw 4 lt 1 lc 1 t "", "./apzepy.txt" u 1:2 w l lw 4 lt 2 t "Total", "./apzepy.txt" u 1:3 w l lw 4 lt 2 t ""
exit

####
Fit

gnuplot
f(x) = mean_y
fit f(x) 'thr10_1.agr' u 1:2 via mean_y

set multiplot layout 2,2 columnsfirst

################
Average

echo "scale=2; `cat X2_X3a.dat | gawk '{sum+=$1}END{print sum}'` / `cat X2_X3a.dat | wc -l`" | bc



###############################
# Two axes
gnuplot
set xrange [200:800]
set yrange [0:0.45]
set y2range [0:45000]
set nokey
#set ytics 0.5 nomirror tc lt 1
#set ylabel '2*x' tc lt 1

#set y2tics 20000 nomirror tc lt 10000
#set y2label 'Absortion' tc lt 10000

plot 'UVData.txt' u 3:4 w i linetype 2, 'UVSpectrum.txt' u 2:3 w l linetype 1 axes x1y2 

# Plot using 2 axes
gnuplot << EOF

set term png lw 1 font 'Verdana,5'
set output "Mult.png"
set xrange [200:800]
#set yrange [0:0.45]
#set y2range [0:45000]
#set nokey
#set ytics 0.5 nomirror tc lt 1
#set ylabel '2*x' tc lt 1

#set y2tics 20000 nomirror tc lt 10000
#set y2label 'Absortion' tc lt 10000

set multiplot layout 3,1

plot 'gausssum2.2/UVData.txt' u 3:4 t "RHO2" w i linetype 2 , 'gausssum2.2/UVSpectrum.txt' u 2:3 t "" w l linetype 1 axes x1y2 
plot 'R1/gausssum2.2/UVData.txt' u 3:4  t "R1" w i linetype 2, 'R1/gausssum2.2/UVSpectrum.txt' u 2:3 t "" w l linetype 1 axes x1y2 
plot 'R2/gausssum2.2/UVData.txt' u 3:4   t "R2" w i linetype 2, 'R2/gausssum2.2/UVSpectrum.txt' u 2:3 t ""  w l linetype 1 axes x1y2 

EOF
display Mult.png &

Sites interessantes:
http://www.gnuplotting.org/