Ejemplo n.º 1
0
 def to_pymatgen_structure( self ):
     lattice = pmg_Lattice( self.cell.matrix * self.scaling )
     structure = pmg_Structure( lattice, self.labels(), self.coordinates )
     return structure 
Ejemplo n.º 2
0
 def to_pymatgen_structure(self):
     lattice = pmg_Lattice(self.cell.matrix * self.scaling)
     structure = pmg_Structure(lattice, self.labels(), self.coordinates)
     return structure