Class CellControlType

 object --+    
          |    
GenericType --+
              |
             CellControlType

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

Instance Methods

str

_validateCellDynamics(self, cell_dynamics)
Validate and return cell dynamics type.

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 = {'cell_dynamics': 'bfgs', 'pressure': 0.0}

CELL_DYNAMICS_KEY = 'cell_dynamics'

PRESSURE_KEY = 'pressure'

Properties

Inherited from object: __class__

Method Details

Validate and return cell dynamics type.

Parameters:

Returns: str

Cell dynamics type

Raises:

Return XML.