20 lines
267 B
Bash
Executable File
20 lines
267 B
Bash
Executable File
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
|
|
|
|
for i in *.g09_zmat
|
|
do
|
|
comand=`qp_create_ezfio_from_g09_zmat $i $1`
|
|
echo $comand
|
|
eval $comand
|
|
done
|
|
|