mdpy.minimizer.SteepestDescentMinimizer

class mdpy.minimizer.SteepestDescentMinimizer(alpha=0.01, output_unit=<Unit object: 1.66e-21 m^2*kg/s^2>, output_unit_label='kj/mol', is_verbose=False, log_freq=5)

__init__(alpha=0.01, output_unit=<Unit object: 1.66e-21 m^2*kg/s^2>, output_unit_label='kj/mol', is_verbose=False, log_freq=5) → None

Methods

__init__([alpha, output_unit, ...])
minimize(ensemble[, energy_tolerance, ...])