package PWSCF @ISA = qw() sub BEGIN sub new my ($module) = @_; return $this; sub DESTROY my $this = shift; sub SetSampleName my ($this, $name) = @_; return $this->{'SampleName'} = $name; sub SampleName my ($this) = @_; return $this->{'SampleName'}; sub GetiPWSCFBravaisLattice my ($this, $strCrystalBravaisLattice) = @_; return $iBravaisLattice{$strCrystalBravaisLattice}; sub SavePWSCFInpFile my ($this, $Function, $PseudoPotential, $Crystal, $filename, $IsChooseRandomly, $PWSCFUseBravaisLattice, $PWSCFUseCELLDM) = @_; return; return ($filename, @Files);