def get_computed_entry(self, inc_structure=True, parameters=None,
                           data=None):
        """
        Returns a ComputedStructureEntry from the vasprun.

        Args:
            inc_structure (bool): Set to True if you want
                ComputedStructureEntries to be returned instead of
                ComputedEntries.
            parameters (list): Input parameters to include. It has to be one of
                the properties supported by the Vasprun object. If
                parameters is None, a default set of parameters that are
                necessary for typical post-processing will be set.
            data (list): Output data to include. Has to be one of the properties
                supported by the Vasprun object.

        Returns:
            ComputedStructureEntry/ComputedEntry
        """
        param_names = {"is_hubbard", "hubbards", "potcar_symbols",
                       "potcar_spec", "run_type"}
        if parameters:
            param_names.update(parameters)
        params = {p: getattr(self, p) for p in param_names}
        data = {p: getattr(self, p) for p in data} if data is not None else {}

        if inc_structure:
            return ComputedStructureEntry(self.final_structure,
                                          self.final_energy, parameters=params,
                                          data=data)
        else:
            return ComputedEntry(self.final_structure.composition,
                                 self.final_energy, parameters=params,
                                 data=data)
def get_computed_entry ( self , inc_structure = True , parameters = None , data = None ) : param_names = { "is_hubbard" , "hubbards" , "potcar_symbols" , "potcar_spec" , "run_type" } if parameters : param_names . update ( parameters ) params = { p : getattr ( self , p ) for p in param_names } data = { p : getattr ( self , p ) for p in data } if data is not None else { } if inc_structure : return ComputedStructureEntry ( self . final_structure , self . final_energy , parameters = params , data = data ) else : return ComputedEntry ( self . final_structure . composition , self . final_energy , parameters = params , data = data )
Returns a ComputedStructureEntry from the vasprun.

        Args:
            inc_structure (bool): Set to True if you want
                ComputedStructureEntries to be returned instead of
                ComputedEntries.
            parameters (list): Input parameters to include. It has to be one of
                the properties supported by the Vasprun object. If
                parameters is None, a default set of parameters that are
                necessary for typical post-processing will be set.
            data (list): Output data to include. Has to be one of the properties
                supported by the Vasprun object.

        Returns:
            ComputedStructureEntry/ComputedEntry