some checkins

[physik/posic.git] / vasp_tools / search_bonds

diff --git a/vasp_tools/search_bonds b/vasp_tools/search_bonds
index 5fa2e93..29b6d1c 100755 (executable)
--- a/vasp_tools/search_bonds
+++ b/vasp_tools/search_bonds
@@ -86,7 +86,7 @@ while [ "1" ]; do
                        yb=`echo $tmpb | awk '{ print $2 }'`
                        zb=`echo $tmpb | awk '{ print $3 }'`
 
-                       echo "$xa $ya $za $xb $yb $zb $scale $len $delta" | \
+                       echo "$xa $ya $za $xb $yb $zb $scale $len $delta $count $ic" | \
                        awk ' \
                        BEGIN {
                        dxt=0; dyt=0; dzt=0
@@ -122,6 +122,7 @@ while [ "1" ]; do
                        dist*=$7
                        if((dist>=($8-$9))&&(dist<=($8+$9))) {
                                print ""
+                               print "atoms: " $10 " - " $11
                                print $1 " " $2 " " $3
                                print $4 " " $5 " " $6 " (" dist " - " $8 ")"
                                print "displace: " dx*X " " dy*Y " " dz*Z