mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-09 07:33:53 +01:00
12 lines
247 B
Bash
Executable File
12 lines
247 B
Bash
Executable File
#!/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 |