PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
Public Member Functions | Public Attributes | List of all members
pawpyseed.analysis.defect_composition.PawpyData Class Reference
Inheritance diagram for pawpyseed.analysis.defect_composition.PawpyData:
Inheritance graph
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Public Member Functions

def __init__ (self, dos, structure, data)
 
def as_dict (self)
 
def write_yaml (self, filename)
 
def from_dict (cls, data)
 
def from_yaml (cls, filename)
 

Public Attributes

 energies
 
 densities
 
 efermi
 
 structure
 
 data
 

Constructor & Destructor Documentation

def pawpyseed.analysis.defect_composition.PawpyData.__init__ (   self,
  dos,
  structure,
  data 
)

Member Function Documentation

def pawpyseed.analysis.defect_composition.PawpyData.as_dict (   self)
def pawpyseed.analysis.defect_composition.PawpyData.from_dict (   cls,
  data 
)
def pawpyseed.analysis.defect_composition.PawpyData.from_yaml (   cls,
  filename 
)
def pawpyseed.analysis.defect_composition.PawpyData.write_yaml (   self,
  filename 
)

Member Data Documentation

pawpyseed.analysis.defect_composition.PawpyData.data
pawpyseed.analysis.defect_composition.PawpyData.densities
pawpyseed.analysis.defect_composition.PawpyData.efermi
pawpyseed.analysis.defect_composition.PawpyData.energies
pawpyseed.analysis.defect_composition.PawpyData.structure

The documentation for this class was generated from the following file: