package DVXa
@ISA = qw()

sub ModifyIonOccupancy
my ($pOrbitals, $charge) = @_;
return $pOrbitals if($charge == 0);
return $pOrb if($charge == 0);
return $pOrb if($charge == 0);

sub NonRelDir
my $this = shift;
return $this->{'NonRelDir'} if($this->{'NonRelDir'});
return $this->{'NonRelDir'} = $NonRelDir;

sub SetNonRelDir
	my($this, $d) = 
return $d;

sub SetNonRelFile
my ($this) = @_;
return $this->{'NonRelPath'};

sub NonRelPath
my ($this) = @_;
return $this->{'NonRelPath'};

sub FileType
return shift->{'FileType'};

sub FileName
return shift->{'FileName'};

sub SetFileName
sub SetFileName { my ($this,$f)=
return $this->{'FileName'} = $f;

sub SetSampleName
my ($this, $name) = @_;
return $this->{'SampleName'} = $name;

sub SampleName
my ($this) = @_;
return $this->{'SampleName'};

sub ClearAll
sub ClearAll    { my $this=

sub DataArray
return shift->{'DataArray'};

sub SetDataArray
my ($this, $DataArray) = @_;
return $this->{'DataArray'} = $DataArray;

sub BEGIN

sub new
my ($module) = @_;
return $this;

sub DESTROY
my $this = shift;

sub CheckFileType
my ($path) = @_;
return undef unless($ret);
return "DVXa GPGL File" if($IsGPGL);
return "DVXa Input File";
return "DVXa raw Input File";
return "DVXa Madelung potential File";
return undef;

sub Read
my ($this, $filename) = @_;
return 1;

sub ReadOrbitals
my ($this, $atomname) = @_;
return undef;
return ($nOrbitals, $AtomicNumber, @Orbitals);