class matlantis_features.features.common.hessian.HessianFeatureResult(atoms: MatlantisAtoms, indices: Optional[List[int]], delta: float, nfree: int, method: str, direction: str, H: ndarray)#

Bases: object

A dataclass for result of HessianFeature.

Methods

__init__(atoms, indices, delta, nfree, …)
__init__(atoms: MatlantisAtoms, indices: Optional[List[int]], delta: float, nfree: int, method: str, direction: str, H: ndarray) → None#

Attributes

dict#

Dictionary representation of the HessianFeatureResult.

Returns

The vibration calculation results in dictionary format.

Return type

dict[str, Any]

atoms: MatlantisAtoms#
indices: Optional[List[int]]#
delta: float#
nfree: int#
method: str#
direction: str#
H: ndarray#