package VASP
@ISA = qw()

sub ClearAll
sub ClearAll      { my $this=

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

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

sub SetFileName
sub SetFileName   { my ($this,$f)=
return $this->{'FileName'} = $f;
return shift->{'DataArray'};
my ($this, $da) = @_;
return $this->{'DataArray'} = $da;

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

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

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

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

sub GetFileName
	my($this, $path, $fname) = 
return $path2;

sub GetINCARFileName
sub GetINCARFileName    { my($this,$f)=
return $this->GetFileName($f, "INCAR");

sub GetOUTCARFileName
sub GetOUTCARFileName   { my($this,$f)=
return $this->GetFileName($f, "OUTCAR");

sub GetKPOINTSFileName
sub GetKPOINTSFileName  { my($this,$f)=
return $this->GetFileName($f, "KPOINTS");

sub GetPOSCARFileName
sub GetPOSCARFileName   { my($this,$f)=
return $this->GetFileName($f, "POSCAR");

sub GetCONTCARFileName
sub GetCONTCARFileName  { my($this,$f)=
return $this->GetFileName($f, "CONTCAR");

sub GetPOTCARFileName
sub GetPOTCARFileName   { my($this,$f)=
return $this->GetFileName($f, "POTCAR");

sub GetEIGENVALFileName
sub GetEIGENVALFileName { my($this,$f)=
return $this->GetFileName($f, "EIGENVAL");

sub GetCARDir
	my($this, $path)=
return $path if(-d $path);
return Deps::MakePath($drive, $dir);
return $dir;

sub SpinPolarized
sub SpinPolarized { my ($this,$s) = 
return $this->{IsSpinPolarized} = $s;

sub IsSpinPolarized
my ($this) = @_;
return $this->{IsSpinPolarized} if(defined $this->{IsSpinPolarized});
return 0;

sub DataArray
sub DataArray { my ($this)=
return $this->{DataArray};

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

sub CheckFileType
my ($path) = @_;
return "VASP Output file";
return undef unless($in);
return "VASP DOSCAR file" if($IsBig);
return undef;
return "VASP EIGENVAL file";
return undef;

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

sub DESTROY
sub DESTROY { my $this = 

sub ReadOUTCAR
my ($this, $path, $target) = @_;
return undef unless($in);
return $path;

sub ReadKeyValue
my ($this, $RegExp, $def, $path) = @_;
return 0.0 if(!defined $in);
return $val;

sub ReadFermiEnergy
my ($this, $path) = @_;
return 0.0 if(!defined $in);
return $EF;

sub ReadOUTCARValues
my ($this, $path) = @_;
return 0.0 if(!defined $in);
return;

sub ReadDOSCAR
my ($this, $path) = @_;
return undef unless($in);
return $path;

sub ReadEIGENVALtoArray
my ($this, $EIGENVALPath, $EF) = @_;
return undef unless($in);
return ($nn, $nK, $nLevels, \@EnergyBands, \@KPointInf);

sub ReadEIGENVAL
my ($this, $path) = @_;
return undef unless($in);
return $path;

sub ReadFiles
my ($this, $filename, $TargetData) = @_;
return $this->ReadOUTCAR($filename, $TargetData);
return $this->ReadOUTCAR($filename, "EnergyLevels");
return $this->ReadDOSCAR($filename);
return $this->ReadEIGENVAL($filename);
return undef;

sub RWIGSFromINCAR
my ($this, $filename) = @_;
return -1;
return @RWIGS;

sub ReadAtomTypesFromPOTCAR
my ($this, $filename, $IsPrint, $AllowDuplicate) = @_;
return -1;
return @AtomTypes;

sub ReadStructureFromCARFiles
my ($this, $CARDir, $IsPrint, %hash) = @_;
return -1 if(@Atomtypes == 0 or $Atomtypes[0] eq "-1");
return -1;
return $crystal;

sub GetPOTCARList
my ($this, $name, $Functional, $UseDPP, $UseRecommendedPOTCAR) = @_;
return @POTFiles if(@POTFiles > 0);
return (@POTFiles);

sub MakePOTCARFile
my ($this, $Crystal, $Functional, $UseDPP, $fname, $pParams) = @_;
return 0;
return -1;
return ($fname, @POTFiles);

sub ModifyPOSCARFile
my ($this, $POSCARPath, $A, $a, $b, $c, $alpha, $beta, $gamma) = @_;
return undef;

sub ModifyPOSCARFile2
my ($this, $Function, $InputFile, $OutputFile, %hash) = @_;
return undef if(@lines == 0);
return undef;

sub ModifyINCARFile
my ($this, $Function, $InputFile, $OutputFile, $AllSeparated, 
		$MinEnergy, $MaxEnergy, $DOSMeasuredFromEF,
		$FromScratch, $Precision, $KeepSymmetry, $nMesh, 
		$SpinPolarized, $PStress, $pParamHash,
		$NBANDS, $NELECT, $pParams) = @_;
return;
return;

sub MakeKPOINTSForFS
my ($this, $KListPath, $CheckPath, $Crystal, $Title, $UseSymmetry, $nx, $ny, $nz, $K, $IsPrint) = @_;
return (0);
return (1, @KIndex);

sub ReadElementFromPOT
my ($this, $potfile) = @_;
return -1;
return $val;

sub ReadRWIGSFromPOT
my ($this, $potfile) = @_;
return -1;
return $val;

sub ReadSystemName
my ($this, $infile) = @_;
return undef if(!defined $pHash->{SYSTEM});
return $pHash->{SYSTEM};

sub GetFileNameFromSystemName
my ($this, $dir, $ext) = @_;
return undef if(!defined $fname);
return Utils::ConvertToValidFileName(Deps::MakePath("$drive$directory", "$fname$ext", 0));

sub LatticeConversionForDensityFile
my ($this, $InputVASPFile, $ConvertedVASPFile, $NewCrystal, $T, $tRT) = @_;

sub ReadDensityFileToHash
my ($this, $path) = @_;
return undef if(!$in->Open($path, "r"));
return \%hash;

sub SaveDensityFileFromHash
my ($this, $path, $phash) = @_;
return undef if(!$out->Open($path, "w"));

sub ReadINCARtoHash
my ($this, $infile) = @_;
return undef;
return \%hash;

sub ReadKPOINTStoHash
my ($this, $infile) = @_;
return undef;
return \%hash;

sub ReadPOTCARtoHash
my ($this, $infile) = @_;
return undef;
return \%hash;

sub GetTotalValenceElectrons
my ($this, $infile) = @_;
return $nVEL;

sub GetFinalIonCharges
my ($this, $infile) = @_;
return (\@AtomName, \@SiteIndex, \@Charge, \@Magnetization);

sub ReadPOSCARtoHash
my ($this, $dir) = @_;
return undef;
return \%hash;

sub ReadStructuresFromOUTCAR
my ($this, $infile) = @_;
return ();
return (@Crystals);

sub ReadOUTCARtoHash
my ($this, $infile) = @_;
return undef;
return \%hash;

sub ReadEgFromDOSOUTCAR
my ($this, $DOSOUTCAR) = @_;
return ();
return ($EF, $VBM, $CBM, $Eg);

sub ReadFromDOSCSV
my ($this, $Dir) = @_;

sub MakeINCARFile
my ($this, $Crystal, $Function, $Functional, $UseDPP, $SpinPolarized, $fname, $pParams) = @_;
return 0;
return 1;

sub MakePOSCARFile
my ($this, $Crystal, $Function, $fname, $UseConventionalCell, $pParams) = @_;
return 0;
return 1;

sub AnalyzeaKProduct
my ($this, $Crystal, $aKProduct) = @_;
return ($nx, $ny, $nz, $NKREDX, $NKREDY, $NKREDZ);

sub ReadIBZKPT
my ($this, $IBZKPTFile) = @_;
return ($nK, \@lines, \@SCFKList);

sub ReadKListFromklist
my ($this, $klistFile) = @_;
return ($nKPoints, \@lines, \@klists);

sub ReadKListFromKPOINTS
my ($this, $klistFile) = @_;
return ($nKPoints, \@lines, \@klists);

sub MakeBandKPOINTSFileFromKLISTForHF
my ($this, $Function, $OutputName, $klistFile, $UseGammaOnly, 
			$nKPointDiv, $KPoints, $aKProduct, $pParams) = @_;
return;
return undef;

sub MakeBandKPOINTSFileForHF
my ($this, $Crystal, $CellType, $Function, $fname, $UseGammaOnly, 
			$nKPointDiv, $KPoints, $aKProduct, $pParams) = @_;
return undef;

sub MakeKPOINTSFileFromKLIST
my ($this, $Function, $OutputName, $klistFile, $UseGammaOnly, 
			$nKPointDiv, $KPoints, $aKProduct, $pParams) = @_;
return;
return undef;
return undef;

sub MakeKPOINTSFile
my ($this, $Crystal, $CellType, $Function, $fname, $UseGammaOnly, 
			$nKPointDiv, $KPoints, $aKProduct, $pParams) = @_;
return undef;
return $KListFilePath;

sub SaveVASPFiles
my ($this, $Crystal, $CellType, $UseConventionalCell, $Function, $Functional, 
		$UseDPP, $SpinPolarized,
		$Dir, $IsChooseRandomly, $pParams) = @_;
return () if($ret <= 0);
return ($INCAR) if($ret <= 0);
return ($INCAR, $POSCAR) if($ret <= 0);
return ($INCAR, $POSCAR, $POTCAR) if(!defined $KListFile);
return ($KListFile, $INCAR, $POSCAR, $POTCAR, $KPOINTS);