X-Git-Url: https://www.hackdaworld.org/gitweb/?a=blobdiff_plain;f=report%2Freport.h;h=bd4ce88a4198c647886938d36c6f3788ee66dc72;hb=HEAD;hp=7fd31804f56e02cd57eee7673aaefd1870290334;hpb=f3e4193447ac49a8953515910d4b4e6ce2c7608b;p=physik%2Fposic.git

diff --git a/report/report.h b/report/report.h
index 7fd3180..bd4ce88 100644
--- a/report/report.h
+++ b/report/report.h
@@ -34,31 +34,77 @@ static char report_start[]="\
 \\maketitle\n\
 ";
 
-static char report_end[]="\
+static char report_energy[]="\
 \\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\
+";
+
+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\
 ";
 
-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 title 'Energy vs. time' \n\
+set title 'Energy per atom vs. time' \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\
-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