Energy

class ase2sprkkr.common.grammar_types.Energy(prefix=None, postfix=None, format='', default_value=None, condition=None, after_convert=None, description='', min=None, max=None)

The grammar type for energy. The default units are Rydberg, one can specify eV.

Class hierarchy

Constructor

Parameters

• prefix (Optional[str]) –

• postfix (Optional[str]) –

• format (str) –

• default_value (Any) –

• condition (Optional[Callable[[Any], Union[bool, str]]]) –

• after_convert (Optional[Callable[[Any], Any]]) –

• min (Optional[int]) –

• max (Optional[int]) –

__init__(prefix=None, postfix=None, format='', default_value=None, condition=None, after_convert=None, description='', min=None, max=None)

Parameters

• min (Optional[int]) – Minimal allowed value.

• max (Optional[int]) – Maximal allowed value.

• prefix (Optional[str]) –

• postfix (Optional[str]) –

• format (str) –

• default_value (Any) –

• condition (Optional[Callable[[Any], Union[bool, str]]]) –

• after_convert (Optional[Callable[[Any], Any]]) –

units = {'Ry': 1.0, 'eV': 0.07349864494991327, None: 1.0}

The allowed units and their conversion factors

I = <Energy>

datatype

alias of float