ase\_uhal.committee\_calculators.ACEHALCalculator
=================================================

.. currentmodule:: ase_uhal.committee_calculators

.. autoclass:: ACEHALCalculator

   
   .. automethod:: __init__
   .. automethod:: resample_committee
   .. automethod:: select_structure
   .. automethod:: sync
   .. automethod:: get_descriptor_energy
   .. automethod:: get_descriptor_forces
   .. automethod:: get_descriptor_stress
   .. automethod:: get_committee_energies
   .. automethod:: get_committee_forces
   .. automethod:: get_committee_stresses
   .. automethod:: get_bias_energy
   .. automethod:: get_bias_forces
   .. automethod:: get_bias_stress

   
   .. rubric:: Methods

   .. autosummary::
   
      ~ACEHALCalculator.__init__
      ~ACEHALCalculator.band_structure
      ~ACEHALCalculator.calculate
      ~ACEHALCalculator.calculate_numerical_forces
      ~ACEHALCalculator.calculate_numerical_stress
      ~ACEHALCalculator.calculate_properties
      ~ACEHALCalculator.calculation_required
      ~ACEHALCalculator.check_state
      ~ACEHALCalculator.export_properties
      ~ACEHALCalculator.get_atoms
      ~ACEHALCalculator.get_bias_energy
      ~ACEHALCalculator.get_bias_forces
      ~ACEHALCalculator.get_bias_stress
      ~ACEHALCalculator.get_charges
      ~ACEHALCalculator.get_committee_energies
      ~ACEHALCalculator.get_committee_forces
      ~ACEHALCalculator.get_committee_stresses
      ~ACEHALCalculator.get_default_parameters
      ~ACEHALCalculator.get_descriptor_energy
      ~ACEHALCalculator.get_descriptor_forces
      ~ACEHALCalculator.get_descriptor_stress
      ~ACEHALCalculator.get_dipole_moment
      ~ACEHALCalculator.get_forces
      ~ACEHALCalculator.get_magnetic_moment
      ~ACEHALCalculator.get_magnetic_moments
      ~ACEHALCalculator.get_potential_energies
      ~ACEHALCalculator.get_potential_energy
      ~ACEHALCalculator.get_property
      ~ACEHALCalculator.get_stress
      ~ACEHALCalculator.get_stresses
      ~ACEHALCalculator.read
      ~ACEHALCalculator.read_atoms
      ~ACEHALCalculator.resample_committee
      ~ACEHALCalculator.reset
      ~ACEHALCalculator.select_structure
      ~ACEHALCalculator.set
      ~ACEHALCalculator.set_label
      ~ACEHALCalculator.sync
      ~ACEHALCalculator.todict
   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~ACEHALCalculator.default_parameters
      ~ACEHALCalculator.directory
      ~ACEHALCalculator.discard_results_on_any_change
      ~ACEHALCalculator.energy_weight
      ~ACEHALCalculator.forces_weight
      ~ACEHALCalculator.ignored_changes
      ~ACEHALCalculator.implemented_properties
      ~ACEHALCalculator.label
      ~ACEHALCalculator.name
      ~ACEHALCalculator.stress_weight