#!/bin/bash # Convert a old ezfio file (with option.irp.f ezfio_default) # into a new EZFIO.cfg type # Hartree Fock # Changin the case, don't know if is needed or not mv $1/Hartree_Fock $1/hartree_fock mv $1/hartree_Fock/thresh_SCF $1/hartree_fock/thresh_scf mv $1/hartree_Fock/thresh_SCF $1/hartree_fock/thresh_scf # BiInts mv $1/bi_integrals $1/bielect_integrals