Class ElectronControlType

 object --+    
          |    
GenericType --+
              |
             ElectronControlType

Class to generate QE input XML section related to electron control.

Instance Methods

[hide private]

str

_validateDiag(self, diag)
Validate diagonalization type.

str

_validateMmode(self, mmode)
Validate mixing mode.

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 = {'conv_thr': 1e-06, 'diago_cg_maxiter': 20, 'diago_...

Properties

[hide private]

Inherited from object: __class__

Method Details

[hide private]

_validateDiag(self, diag)

Validate diagonalization type.

Parameters:

diag (str) - Diagonalization type

Returns: str

Diagonalization type

_validateMmode(self, mmode)

Validate mixing mode.

Parameters:

mmode (str) - Mixing mode

Returns: str

Mixing mode

str(self)
(Informal representation operator)

Return XML.

Returns: str: XML string
Overrides: object.__str__

Class Variable Details

[hide private]

DEFAULTS

Value:

{'conv_thr': 1e-06,
 'diago_cg_maxiter': 20,
 'diago_full_acc': False,
 'diago_thr_init': 0.0,
 'diagonalization': 'davidson',
 'max_steps': 100,
 'mixing_beta': 0.7,
 'mixing_mode': 'plain',
...

Class ElectronControlType

_validateDiag(self, diag)

_validateMmode(self, mmode)

__str__(self) (Informal representation operator)

DEFAULTS

str(self)
(Informal representation operator)