srDFT_G2/Ref/Molecules/g09/VDZ/create_input.sh

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2019-03-26 11:00:25 +01:00
#! /bin/bash
if [ $# != 1 ]
then
echo "Please provide template file"
fi
if [ $# = 1 ]
then
for XYZ in $( ls *.xyz ); do
MOL=${XYZ%.*}
cat $1 ${MOL}.xyz > ${MOL}.inp
done
fi