-if [ ! -d $1/video${app} ]; then
- echo "no video directory found ..."
- echo "forgot to run outcar2moldyn?"
- exit
-fi
-
-echo
-echo "WARNING !!!!"
-echo "-> reading in sx sy and sz is not correct ..."
-echo "WARNING !!!!"
-echo
-
-line=`sed -n -e '/length of/,/FORCES/p' $1/OUTCAR${app} | \
- grep ^\ \ \ | tail -1`
-
-sx=`echo $line | awk '{ print $1 }'`
-sy=`echo $line | awk '{ print $2 }'`
-sz=`echo $line | awk '{ print $3 }'`
-
-if [ -z $2 ] ; then
- files=`ls $1/video/atomic_conf*.xyz | tail -1`
-else
- files=`ls $1/video${app}/atomic_conf*.xyz`
-fi