JACESettings#

pydantic model autoplex.settings.JACESettings[source]#

Model describing the hyperparameters for the J-ACE fits.

field order: int = 3#

Order of the J-ACE model

field totaldegree: int = 6#

Total degree of the J-ACE model

field cutoff: float = 2.0#

Radial cutoff distance

field solver: str = 'BLR'#

Solver for the J-ACE model