Python pmg_Structure示例

示例#1

文件： poscar.py 项目： bjmorgan/vasppy

 def to_pymatgen_structure( self ):
     lattice = pmg_Lattice( self.cell.matrix * self.scaling )
     structure = pmg_Structure( lattice, self.labels(), self.coordinates )
     return structure 

示例#2

 def to_pymatgen_structure(self):
     lattice = pmg_Lattice(self.cell.matrix * self.scaling)
     structure = pmg_Structure(lattice, self.labels(), self.coordinates)
     return structure