do_it() {
echo "processing $1 ..."
- ./pair_correlation_calc $1 $2
+ ./pair_correlation_calc $2 $1
trg=`echo $1 | sed 's%s-%pair_corr-%' | sed 's%.save%%'`
mv pair_corr_func.txt $trg
echo "done"
if [ "$3" = "g" ]; then
-pdir=`dirname $1`
+if [ -d $1 ]; then
+ pdir=$1
+else
+ pdir=`dirname $1`
+fi
pfile=$pdir/pair_corr.scr
cat > $pfile <<-EOF
set title 'Pair correlation function'
set xlabel 'r [A]'
set ylabel 'g(r) [a.u.]'
+unset ytics
set terminal postscript eps enhanced color solid lw 1 'Helvetica' 14
set output '$pdir/pair_corr.eps'
EOF
-echo -en "plot [1.5:3.0] " >> $pfile
+echo -en "plot [1.0:6.0] " >> $pfile
komma=0
if [ ! -z `echo $4 | grep b` ]; then
[ "$komma" = "1" ] &&
echo -en ", " >> $pfile
- echo -en "\"$i\" u 1:3 w l t \"ab $time\"" >> $pfile
+ echo -en "\"$i\" u 1:3 w l t \"aa $time\"" >> $pfile
komma=1
fi
if [ ! -z `echo $4 | grep c` ]; then
[ "$komma" = "1" ] &&
echo -en ", " >> $pfile
- echo -en "\"$i\" u 1:4 w l t \"ab $time\"" >> $pfile
+ echo -en "\"$i\" u 1:4 w l t \"bb $time\"" >> $pfile
komma=1
fi