ase\_uhal.committee\_calculators.BaseCommitteeCalculator
========================================================

.. currentmodule:: ase_uhal.committee_calculators

.. autoclass:: BaseCommitteeCalculator

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

   
   
   .. rubric:: Attributes

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