Energy

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

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

Class hierarchy

Inheritance diagram of ase2sprkkr.common.grammar_types.basic.Energy

Constructor

Parameters:
  • prefix (str | None) –

  • postfix (str | None) –

  • format (str) –

  • after_format (str | None) –

  • default_value (Any) –

  • condition (Callable[[Any], bool | str] | None) –

  • after_convert (Callable[[Any], Any] | None) –

  • min (int | None) –

  • max (int | None) –

__init__(prefix=None, postfix=None, format='', after_format=None, default_value=None, condition=None, after_convert=None, description='', min=None, max=None)
Parameters:
  • min (int | None) – Minimal allowed value.

  • max (int | None) – Maximal allowed value.

  • prefix (str | None) –

  • postfix (str | None) –

  • format (str) –

  • after_format (str | None) –

  • default_value (Any) –

  • condition (Callable[[Any], bool | str] | None) –

  • after_convert (Callable[[Any], Any] | None) –

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

The allowed units and their conversion factors

I = <Energy>
datatype

alias of float