ase\_uhal.bias\_calculators.BaseBiasCalculator ============================================== .. currentmodule:: ase_uhal.bias_calculators .. autoclass:: BaseBiasCalculator .. automethod:: __init__ .. automethod:: calculate .. automethod:: update_tau .. automethod:: get_score .. rubric:: Methods .. autosummary:: ~BaseBiasCalculator.__init__ ~BaseBiasCalculator.band_structure ~BaseBiasCalculator.calculate ~BaseBiasCalculator.calculate_numerical_forces ~BaseBiasCalculator.calculate_numerical_stress ~BaseBiasCalculator.calculate_properties ~BaseBiasCalculator.calculation_required ~BaseBiasCalculator.check_state ~BaseBiasCalculator.export_properties ~BaseBiasCalculator.get_atoms ~BaseBiasCalculator.get_charges ~BaseBiasCalculator.get_default_parameters ~BaseBiasCalculator.get_dipole_moment ~BaseBiasCalculator.get_forces ~BaseBiasCalculator.get_magnetic_moment ~BaseBiasCalculator.get_magnetic_moments ~BaseBiasCalculator.get_potential_energies ~BaseBiasCalculator.get_potential_energy ~BaseBiasCalculator.get_property ~BaseBiasCalculator.get_score ~BaseBiasCalculator.get_stress ~BaseBiasCalculator.get_stresses ~BaseBiasCalculator.read ~BaseBiasCalculator.read_atoms ~BaseBiasCalculator.resample_committee ~BaseBiasCalculator.reset ~BaseBiasCalculator.select_structure ~BaseBiasCalculator.set ~BaseBiasCalculator.set_label ~BaseBiasCalculator.sync ~BaseBiasCalculator.todict ~BaseBiasCalculator.update_tau .. rubric:: Attributes .. autosummary:: ~BaseBiasCalculator.default_parameters ~BaseBiasCalculator.directory ~BaseBiasCalculator.discard_results_on_any_change ~BaseBiasCalculator.ignored_changes ~BaseBiasCalculator.implemented_properties ~BaseBiasCalculator.label ~BaseBiasCalculator.mixing ~BaseBiasCalculator.name