$XML='files/mol.xml'
$ORBITALS='files/orbs.dat'
!$ECORBITALS='files/ecorbs.dat'
$ECVARIABLES='files/ecvars.dat'

system,'mkdir -p','files'

put,xml,$XML

{matrop
load ORB ORB
write,ORB,$ORBITALS,new,sci
}

system,'julia test.jl',' > test.log'


!{matrop
!read,ORB,file=$ECORBITALS
!save,ORB,3200.2,ORBITALS
!}

readvar,$ECVARIABLES
