Package schrodinger :: Package application :: Package matsci :: Package espresso :: Module qeinput :: Class BasisType

Class BasisType

 object --+    
          |    
GenericType --+
              |
             BasisType

Class to generate QE input XML section related to basis.

Instance Methods

list

_validateGrid(self, grid)
Validate grid list

str

__str__(self)
Return XML.

Inherited from GenericType (private): _cleanData

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __subclasshook__

Class Variables

DEFAULTS = {'ecutrho': 0.0, 'ecutwfc': 0.0, 'fft_grid': [], 'f...

Properties

Inherited from object: __class__

Method Details

Validate grid list

Parameters:

Returns: list

List of integers describing a grid

Return XML.

Class Variable Details

Value:

{'ecutrho': 0.0,
 'ecutwfc': 0.0,
 'fft_grid': [],
 'fft_smooth_grid': []}