#!/bin/bash # $1 name # $2 mult echo "name" $1 echo "basis" $2 echo "mul" $3 echo "\`get_basis.sh\` need to be changed" rm -R $1.ezfio qp_create_ezfio_from_xyz $1.xyz -b $2 -m $3 ~/quantum_package/scripts/pseudo/put_pseudo_in_ezfio.py $1.ezfio