OneBodyPotentialCalculator
==========================

.. currentmodule:: narupatools.ase.calculators.onebody_potential_calculator

.. autoclass:: OneBodyPotentialCalculator

   .. rubric:: Inheritance

   .. inheritance-diagram:: OneBodyPotentialCalculator
      :parts: 1

   

   
   .. rubric:: Methods

   .. autosummary::
      :nosignatures:
   
      ~OneBodyPotentialCalculator.__init__
      ~OneBodyPotentialCalculator.band_structure
      ~OneBodyPotentialCalculator.calculate
      ~OneBodyPotentialCalculator.calculate_energy
      ~OneBodyPotentialCalculator.calculate_force
      ~OneBodyPotentialCalculator.calculate_numerical_forces
      ~OneBodyPotentialCalculator.calculate_numerical_stress
      ~OneBodyPotentialCalculator.calculate_properties
      ~OneBodyPotentialCalculator.calculation_required
      ~OneBodyPotentialCalculator.check_state
      ~OneBodyPotentialCalculator.export_properties
      ~OneBodyPotentialCalculator.get_atoms
      ~OneBodyPotentialCalculator.get_charges
      ~OneBodyPotentialCalculator.get_default_parameters
      ~OneBodyPotentialCalculator.get_dipole_moment
      ~OneBodyPotentialCalculator.get_forces
      ~OneBodyPotentialCalculator.get_magnetic_moment
      ~OneBodyPotentialCalculator.get_magnetic_moments
      ~OneBodyPotentialCalculator.get_potential_energies
      ~OneBodyPotentialCalculator.get_potential_energy
      ~OneBodyPotentialCalculator.get_property
      ~OneBodyPotentialCalculator.get_stress
      ~OneBodyPotentialCalculator.get_stresses
      ~OneBodyPotentialCalculator.read
      ~OneBodyPotentialCalculator.read_atoms
      ~OneBodyPotentialCalculator.reset
      ~OneBodyPotentialCalculator.set
      ~OneBodyPotentialCalculator.set_label
      ~OneBodyPotentialCalculator.todict

   
   .. automethod:: OneBodyPotentialCalculator.__init__
   .. automethod:: OneBodyPotentialCalculator.band_structure
   .. automethod:: OneBodyPotentialCalculator.calculate
   .. automethod:: OneBodyPotentialCalculator.calculate_energy
   .. automethod:: OneBodyPotentialCalculator.calculate_force
   .. automethod:: OneBodyPotentialCalculator.calculate_numerical_forces
   .. automethod:: OneBodyPotentialCalculator.calculate_numerical_stress
   .. automethod:: OneBodyPotentialCalculator.calculate_properties
   .. automethod:: OneBodyPotentialCalculator.calculation_required
   .. automethod:: OneBodyPotentialCalculator.check_state
   .. automethod:: OneBodyPotentialCalculator.export_properties
   .. automethod:: OneBodyPotentialCalculator.get_atoms
   .. automethod:: OneBodyPotentialCalculator.get_charges
   .. automethod:: OneBodyPotentialCalculator.get_default_parameters
   .. automethod:: OneBodyPotentialCalculator.get_dipole_moment
   .. automethod:: OneBodyPotentialCalculator.get_forces
   .. automethod:: OneBodyPotentialCalculator.get_magnetic_moment
   .. automethod:: OneBodyPotentialCalculator.get_magnetic_moments
   .. automethod:: OneBodyPotentialCalculator.get_potential_energies
   .. automethod:: OneBodyPotentialCalculator.get_potential_energy
   .. automethod:: OneBodyPotentialCalculator.get_property
   .. automethod:: OneBodyPotentialCalculator.get_stress
   .. automethod:: OneBodyPotentialCalculator.get_stresses
   .. automethod:: OneBodyPotentialCalculator.read
   .. automethod:: OneBodyPotentialCalculator.read_atoms
   .. automethod:: OneBodyPotentialCalculator.reset
   .. automethod:: OneBodyPotentialCalculator.set
   .. automethod:: OneBodyPotentialCalculator.set_label
   .. automethod:: OneBodyPotentialCalculator.todict

   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~OneBodyPotentialCalculator.default_parameters
      ~OneBodyPotentialCalculator.directory
      ~OneBodyPotentialCalculator.discard_results_on_any_change
      ~OneBodyPotentialCalculator.ignored_changes
      ~OneBodyPotentialCalculator.implemented_properties
      ~OneBodyPotentialCalculator.label

   
   .. autoattribute:: OneBodyPotentialCalculator.default_parameters
   .. autoattribute:: OneBodyPotentialCalculator.directory
   .. autoattribute:: OneBodyPotentialCalculator.discard_results_on_any_change
   .. autoattribute:: OneBodyPotentialCalculator.ignored_changes
   .. autoattribute:: OneBodyPotentialCalculator.implemented_properties
   .. autoattribute:: OneBodyPotentialCalculator.label