atomistics.shared.output.OutputThermalExpansion

class atomistics.shared.output.OutputThermalExpansion(temperatures: Callable[[], object], volumes: Callable[[], object])

Bases: Output

Output data for a thermal expansion calculation.

temperatures

Callable returning the list of temperatures in K.

Type:

OutputCallable

volumes

Callable returning the equilibrium volumes at each temperature in ų.

Type:

OutputCallable

__init__(temperatures: Callable[[], object], volumes: Callable[[], object]) → None

Methods

__init__(temperatures, volumes)
get(output_keys)	Get the specified output data.
keys()	Get the keys of the output data class.

Attributes

temperatures
volumes

get(output_keys: Iterable[str]) → dict

Get the specified output data.

Parameters:

output_keys (tuple) – The keys of the output data to retrieve.

Returns:

The output data.

Return type:

dict

classmethod keys() → tuple

Get the keys of the output data class.

Returns:

The keys of the output data class.

Return type:

tuple