srDFT_G2/Ref/Inputs_G1/create_ezfio_from_g09_xyz.sh

20 lines
267 B
Bash
Raw Normal View History

2019-03-26 15:02:24 +01:00
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
2019-03-26 16:09:05 +01:00
for i in *.g09_zmat
do
comand=`qp_create_ezfio_from_g09_zmat $i $1`
echo $comand
eval $comand
done