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

 object --+    
          |    
GenericType --+
              |
             CellControlType

Class to generate QE cell control XML section related to control.

Instance Methods [hide private]
str
__str__(self)
Return XML.

Inherited from GenericType: __init__, updateWithData

Inherited from GenericType (private): _cleanData

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

Class Variables [hide private]
  DEFAULTS = {'cell_dynamics': 'bfgs', 'cell_factor': 2.0, 'pres...
  CELL_DYNAMICS_KEY = 'cell_dynamics'
  CELL_FACTOR_KEY = 'cell_factor'
  PRESSURE_KEY = 'pressure'
Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__str__(self)
(Informal representation operator)

 

Return XML.

Returns: str
XML string
Overrides: object.__str__

Class Variable Details [hide private]

DEFAULTS

Value:
{'cell_dynamics': 'bfgs', 'cell_factor': 2.0, 'pressure': 0.0}