Forces

class mlptrain.forces.Forces(predicted: ndarray | None = None, true: ndarray | None = None)

Bases: object

Forces in units of eV / Å

__init__(predicted: ndarray | None = None, true: ndarray | None = None)

Forces

property delta: ndarray

Difference between true and predicted forces

Raises:

(ValueError) – If at least one set of forces is not defined