X-Git-Url: https://hackdaworld.org/gitweb/?p=physik%2Fposic.git;a=blobdiff_plain;f=vasp_tools%2Fsearch_bonds;fp=vasp_tools%2Fsearch_bonds;h=29b6d1c5c1200612581fb937aa382f9cd7cd8425;hp=5fa2e93fc2a51e87663227c7284139c97b66c022;hb=8524173a28f2c22a539ef1b0910a1136d9cb254b;hpb=40f91e7d7cb98fedd86bc4e3178021f687190550

diff --git a/vasp_tools/search_bonds b/vasp_tools/search_bonds
index 5fa2e93..29b6d1c 100755
--- 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