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Merge branch 'leadoff'
[physik/posic.git]
/
s2xyz_script
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#!/bin/bash
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DIR="$1"
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for i in $1/s-*.save; do
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FILE="`basename $i`"
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NUM="`echo $FILE | awk -F- '{ print $2 }' | awk -F. '{ print $1 }'`"
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TRG="$DIR/atomic_conf_${NUM}.xyz"
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echo "converting $i -> $TRG"
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./s2xyz $i > $TRG
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done
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