srDFT_G2/Ref/Inputs_G1/create_ezfio_from_g09_xyz.sh
2019-03-26 15:02:24 +01:00

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source ~/.bashrc
. ~/qp2/quantum_package.rc
basis=$1
for i in *.xyz
do
comand=`qp_create_ezfio_from_g09_zmat $i $1`
echo $comand
eval $comand
done