class matlantis_features.features.common.neb.NEBFeatureOutput(neb_images: List[MatlantisAtoms], converged: bool, steps: int, energy_log: List[List[float]], force_log: List[List[float]])#

Bases: FeatureBaseOutput

A dataclass for result output of NEBFeature.

Methods

__init__(neb_images, converged, steps, …)

from_dict(res)

Construct a FeatureBaseOutput object from serialized dict.

to_dict()

Dictionary representation of the FeatureBaseOutput.
__init__(neb_images: List[MatlantisAtoms], converged: bool, steps: int, energy_log: List[List[float]], force_log: List[List[float]]) → None#
classmethod from_dict(res: Dict[str, Any]) → FeatureBaseOutput#

Construct a FeatureBaseOutput object from serialized dict.

Parameters

res (dict[str, Any]) – A dict containing a serialized FeatureBaseOutput from to_dict().

Returns

The deserialized object from provided dict.

Return type

FeatureBaseOutput

to_dict() → Dict[str, Any]#

Dictionary representation of the FeatureBaseOutput.

Returns

A dict containing a serialized FeatureBaseOutput.

Return type

dict[str, Any]