package Crystal @ISA = qw() sub BEGIN sub new my ($module) = @_; return $this; sub DESTROY my $this = shift; sub ExpandToSuperLattice my ($this,$nx,$ny,$nz,$crystal) = @_; return $count; sub SetOutputMode my ($this, $mode) = @_; return $this->{'OutputMode'} = $mode; sub OutputMode my ($this) = @_; return $this->{'OutputMode'}; sub SPGNameByOutputMode my ($this) = @_; return "P 1"; return $this->SPGName(); sub iSPGByOutputMode my ($this) = @_; return 1; return $this->iSPG(); sub iSetByOutputMode my ($this) = @_; return 1; return $this->iSet(); sub FractionalToCartesianByOutputMode my ($this, $x,$y,$z) = @_; return ($xc,$yc,$zc); sub LatticeParametersByOutputMode my ($this, $UseAtomicUnit) = @_; return $this->LatticeParameters($UseAtomicUnit); return $this->LatticeParameters($UseAtomicUnit); sub LatticeVectorsByOutputMode my ($this, $UseAtomicUnit) = @_; return $this->LatticeVectors($UseAtomicUnit); return $this->LatticeVectors($UseAtomicUnit); sub GetCExpandedAtomSiteListByOutputMode my ($this,$UseAtomicUnit) = @_; return $this->GetCExpandedAtomSiteList(); return @tlist; return $this->GetCExpandedAtomSiteList(); return $this->GetCAsymmetricAtomSiteList(); sub CreateSuperLattice my ($this, $nx, $ny, $nz) = @_; return 1; sub GetCSuperLattice my ($this) = @_; return $this->{'CSuperLattice'};