magnopy.Energy.optimize#

method

Energy.optimize(initial_guess=None, energy_tolerance=1e-05, torque_tolerance=1e-05, quiet=False, quantum_correction=False)[source]#

Optimizes classical energy by varying the directions of spins in the unit cell.

Parameters:

initial_guess(M, 3) or (3,) array-like, optional: Initial guess for the direction of the spin vectors.
energy_tolerancefloat, default 1e-5: Energy tolerance for the two consecutive steps of the optimization. In the units of meV.
torque_tolerancefloat, default 1e-5: Torque tolerance for the two consecutive steps of the optimization. In the units of meV.
quietbool, default False: Whether to suppress the output of the progress.
quantum_correctionbool, default False: Whether to include quantum correction to the energy in the optimization. If True, then it optimizes Energy.E_0() + Energy.E_corr(). If False, then it optimizes Energy.E_0() only.

Warning

This option is experimental. Will be improved and tested in future releases. Use with caution.

Returns:

optimized_directions(M, 3) numpy.ndarray: Optimized direction of the spin vectors.