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check whether transformed selective dynamics are used and change offset
[physik/posic.git]
/
vasp_tools
/
visualize_contcar
diff --git
a/vasp_tools/visualize_contcar
b/vasp_tools/visualize_contcar
index
d272d18
..
f25d155
100755
(executable)
--- a/
vasp_tools/visualize_contcar
+++ b/
vasp_tools/visualize_contcar
@@
-223,7
+223,14
@@
EOF
# atoms
((count=1))
# 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 "
while [ "1" ]; do
echo -en "$count "