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, nan=None)[source]
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) –
after_format (Optional[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='', after_format=None, default_value=None, condition=None, after_convert=None, description='', min=None, max=None, nan=None)
- Parameters
min (Optional[int]) – Minimal allowed value.
max (Optional[int]) – Maximal allowed value.
prefix (Optional[str]) –
postfix (Optional[str]) –
format (str) –
after_format (Optional[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