quantum_package/scripts/ezfio_interface/convert_ezfio.sh

mirror of https://github.com/LCPQ/quantum_package synced 2024-07-22 18:57:31 +02:00
#!/bin/bash
#  Convert a old ezfio file (with option.irp.f ezfio_default)
# into a new EZFIO.cfg type
mv $1/Hartree_Fock $1/hartree_fock
mv $1/hartree_Fock/thresh_SCF $1/hartree_fock/thresh_scf
Add convert_ezfio.sh 2015-03-30 11:21:34 +02:00			`#!/bin/bash`
			`# Convert a old ezfio file (with option.irp.f ezfio_default)`
			`# into a new EZFIO.cfg type`
Fix unit_test 2015-03-30 11:47:56 +02:00			`mv $1/Hartree_Fock $1/hartree_fock`
			`mv $1/hartree_Fock/thresh_SCF $1/hartree_fock/thresh_scf`