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added Posselt formation energy calc
[physik/posic.git] / bond_analyze_script
1 #!/bin/bash
2
3 if [ ! -d $1 ]; then
4         echo "$1 is not a directory"
5         exit 1
6 fi
7
8 echo "processing $1 ..."
9
10 rm -f $1/bond_analyze.txt
11
12 for i in $1/*.save; do
13         bai="`./bond_analyze $i | grep '\[bond' | grep quality`"
14         time=`echo $bai | awk '{ print $4 }'`
15         quality=`echo $bai | awk '{ print $8 }'`
16         count=`echo $bai | awk '{ print $12 }'`
17         echo "$time $quality $count" >> $1/bond_analyze.txt
18 done
19
20 echo "done"