From: hackbard <hackbard@sage.physik.uni-augsburg.de>
Date: Fri, 23 Oct 2009 12:22:17 +0000 (+0200)
Subject: check whether transformed selective dynamics are used and change offset
X-Git-Url: https://hackdaworld.org/gitweb/?a=commitdiff_plain;h=db49cd6cbc99fbd7a0fe8821053f096de821ce6d;p=physik%2Fposic.git

check whether transformed selective dynamics are used and change offset
---

diff --git a/vasp_tools/visualize_contcar b/vasp_tools/visualize_contcar
index d272d18..f25d155 100755
--- a/vasp_tools/visualize_contcar
+++ b/vasp_tools/visualize_contcar
@@ -223,7 +223,14 @@ EOF
 
 	# atoms
 	((count=1))
-	((offset=8))
+	checktsd=`sed -n 7p $file | awk '{ print $1 }'`
+	if [ "$checktsd" = "Transformed" ]; then
+		((offset=9))
+		echo "tsd: yes, offset = $offset"
+	else
+		((offset=8))
+		echo "tsd: no, offset = $offset"
+	fi
 	while [ "1" ]; do
 
 	echo -en "$count "