adding pair correlation function

[physik/posic.git] / report / report.h

diff --git a/report/report.h b/report/report.h
index 7fd31804f56e02cd57eee7673aaefd1870290334..bd4ce88a4198c647886938d36c6f3788ee66dc72 100644 (file)
--- a/report/report.h
+++ b/report/report.h
@@ -34,31 +34,77 @@ static char report_start[]="\
 \\maketitle\n\
 ";
 
 \\maketitle\n\
 ";
 

-static char report_end[]="\
+static char report_energy[]="\

 \\begin{figure}[!h]\n\
 \\begin{center}\n\
 \\begin{figure}[!h]\n\
 \\begin{center}\n\

-\\includegraphics[width=10cm]{energy.eps}\n\
+\\includegraphics[width=16cm]{energy.eps}\n\

 \\caption{Kinetic, potential and total energy over time}\n\
 \\end{center}\n\
 \\end{figure}\n\
 \\caption{Kinetic, potential and total energy over time}\n\
 \\end{center}\n\
 \\end{figure}\n\

+";
+
+static char report_pressure[]="\
+\\begin{figure}[!h]\n\
+\\begin{center}\n\
+\\includegraphics[width=16cm]{pressure.eps}\n\
+\\caption{Pressure over time}\n\
+\\end{center}\n\
+\\end{figure}\n\
+";
+
+static char report_temperature[]="\
+\\begin{figure}[!h]\n\
+\\begin{center}\n\
+\\includegraphics[width=16cm]{temperature.eps}\n\
+\\caption{Temperature over time}\n\
+\\end{center}\n\
+\\end{figure}\n\
+";
+
+static char report_end[]="\

 \\end{document}\n\
 ";
 
 \\end{document}\n\
 ";
 

-static char plot_script[]="\
+static char e_plot_script[]="\

 set autoscale \n\
 unset log \n\
 unset label \n\
 set xtic auto \n\
 set ytic auto \n\
 set autoscale \n\
 unset log \n\
 unset label \n\
 set xtic auto \n\
 set ytic auto \n\

-set title 'Energy vs. time' \n\
+set title 'Energy per atom vs. time' \n\

 set xlabel 'Time [fs]' \n\
 set xlabel 'Time [fs]' \n\

-set ylabel 'Energy [eV]' \n\
-plot \"energy\" using 1:2 title 'Kinetic energy' with lines , \"energy\" using 1:3 title 'Potential energy' with lines , \"energy\" using 1:4 title 'Total energy' with lines \n\
-#set size 1.0, 0.6 \n\
-set terminal postscript eps enhanced color dashed lw 1 'Helvetica' 14 \n\
+set ylabel 'Energy per atom [eV]' \n\
+set terminal postscript eps enhanced color solid lw 1 'Helvetica' 14 \n\

 set output 'energy.eps' \n\
 set output 'energy.eps' \n\

-replot\
+plot \"energy\" using 1:2 title 'Kinetic energy' with lines , \"energy\" using 1:3 title 'Potential energy' with lines , \"energy\" using 1:4 title 'Total energy' with lines \

 ";
 
 ";
 

+static char pressure_plot_script[]="\
+set autoscale \n\
+unset log \n\
+unset label \n\
+set xtic auto \n\
+set ytic auto \n\
+set title 'Pressure vs. time' \n\
+set xlabel 'Time [fs]' \n\
+set ylabel 'Pressure [bar]' \n\
+set terminal postscript eps enhanced color solid lw 1 'Helvetica' 14 \n\
+set output 'pressure.eps' \n\
+plot \"pressure\" using 1:2 title 'P' with lines , \"pressure\" using 1:3 title '<P>' with lines , \"pressure\" using 1:4 title 'P (global virial)' with lines , \"pressure\" using 1:5 title '<P (global virial)>' with lines \
+";
+
+static char temperature_plot_script[]="\
+set autoscale \n\
+unset log \n\
+unset label \n\
+set xtic auto \n\
+set ytic auto \n\
+set title 'Temperature vs. time' \n\
+set xlabel 'Time [fs]' \n\
+set ylabel 'Temperature [K]' \n\
+set terminal postscript eps enhanced color solid lw 1 'Helvetica' 14 \n\
+set output 'temperature.eps' \n\
+plot \"temperature\" using 1:2 title 'T' with lines , \"temperature\" using 1:3 title '<T>' with lines \
+";

 
 #endif
 
 #endif