Optimizers

MOTEP can use various optimizers in arbitrary orders to obtain MTP parameters.

class motep.optimizers.base.OptimizerBase(loss: ~motep.loss.LossFunctionBase, *, comm: ~motep.parallel.DummyMPIComm = <motep.parallel.DummyMPIComm object>, **kwargs: dict[str, ~typing.Any])

Bases: ABC

Base class of the Optimizer classes.

loss

motep.loss.LossFunction object.

Type:

LossFunction

optimized

Parameters to be optimized.

• species_coeffs

• moment_coeffs

• radial_coeffs

Type:

list[str]

• Linear optimizers
• SciPy optimizers
• Genetic algorithm (GA) optimizer