introduce a 2body bond function with callback, modified pair corr calc

[physik/posic.git] / pair_corr_calc_script

diff --git a/pair_corr_calc_script b/pair_corr_calc_script
index 3913ca1..b005960 100755 (executable)
--- a/pair_corr_calc_script
+++ b/pair_corr_calc_script
@@ -27,7 +27,11 @@ fi
 
 if [ "$3" = "g" ]; then
 
-pdir=`dirname $1`
+if [ -d $1 ]; then
+       pdir=$1
+else
+       pdir=`dirname $1`
+fi
 pfile=$pdir/pair_corr.scr
 
 cat > $pfile <<-EOF
@@ -39,11 +43,12 @@ set ytic auto
 set title 'Pair correlation function' 
 set xlabel 'r [A]' 
 set ylabel 'g(r) [a.u.]' 
+unset ytics
 set terminal postscript eps enhanced color solid lw 1 'Helvetica' 14 
 set output '$pdir/pair_corr.eps' 
 EOF
 
-echo -en "plot [1.5:3.0] " >> $pfile
+echo -en "plot [1.5:6.0] " >> $pfile
 
 komma=0
 
@@ -61,14 +66,14 @@ for i in $pdir/pair_corr-*; do
        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