Energy
- class ase2sprkkr.tools.test.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, nan=None)[source]
The grammar type for energy. The default units are Rydberg, one can specify eV.
Class hierarchy
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, nan=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>