InteractionConstraint ===================== .. currentmodule:: narupatools.ase.constraints.imd_constraint .. autoclass:: InteractionConstraint .. rubric:: Inheritance .. inheritance-diagram:: InteractionConstraint :parts: 1 .. rubric:: Methods .. autosummary:: :nosignatures: ~InteractionConstraint.__init__ ~InteractionConstraint.adjust_forces ~InteractionConstraint.adjust_momenta ~InteractionConstraint.adjust_positions ~InteractionConstraint.adjust_potential_energy ~InteractionConstraint.get_positions ~InteractionConstraint.on_post_step ~InteractionConstraint.on_pre_step ~InteractionConstraint.update_energy_and_forces .. automethod:: InteractionConstraint.__init__ .. automethod:: InteractionConstraint.adjust_forces .. automethod:: InteractionConstraint.adjust_momenta .. automethod:: InteractionConstraint.adjust_positions .. automethod:: InteractionConstraint.adjust_potential_energy .. automethod:: InteractionConstraint.get_positions .. automethod:: InteractionConstraint.on_post_step .. automethod:: InteractionConstraint.on_pre_step .. automethod:: InteractionConstraint.update_energy_and_forces .. rubric:: Attributes .. autosummary:: ~InteractionConstraint.forces ~InteractionConstraint.interaction ~InteractionConstraint.particle_indices ~InteractionConstraint.potential_energy ~InteractionConstraint.start_time ~InteractionConstraint.total_work ~InteractionConstraint.work_last_step .. autoattribute:: InteractionConstraint.forces .. autoattribute:: InteractionConstraint.interaction .. autoattribute:: InteractionConstraint.particle_indices .. autoattribute:: InteractionConstraint.potential_energy .. autoattribute:: InteractionConstraint.start_time .. autoattribute:: InteractionConstraint.total_work .. autoattribute:: InteractionConstraint.work_last_step