ASEDynamics
===========

.. currentmodule:: narupatools.ase.dynamics

.. autoclass:: ASEDynamics

   .. rubric:: Inheritance

   .. inheritance-diagram:: ASEDynamics
      :parts: 1

   

   
   .. rubric:: Methods

   .. autosummary::
      :nosignatures:
   
      ~ASEDynamics.__init__
      ~ASEDynamics.check_task
      ~ASEDynamics.create_langevin
      ~ASEDynamics.create_velocity_verlet
      ~ASEDynamics.end_broadcast
      ~ASEDynamics.from_ase_dynamics
      ~ASEDynamics.get_frame
      ~ASEDynamics.health_check
      ~ASEDynamics.pause
      ~ASEDynamics.play
      ~ASEDynamics.reset
      ~ASEDynamics.restart
      ~ASEDynamics.run
      ~ASEDynamics.start
      ~ASEDynamics.start_broadcast
      ~ASEDynamics.step
      ~ASEDynamics.stop

   
   .. automethod:: ASEDynamics.__init__
   .. automethod:: ASEDynamics.check_task
   .. automethod:: ASEDynamics.create_langevin
   .. automethod:: ASEDynamics.create_velocity_verlet
   .. automethod:: ASEDynamics.end_broadcast
   .. automethod:: ASEDynamics.from_ase_dynamics
   .. automethod:: ASEDynamics.get_frame
   .. automethod:: ASEDynamics.health_check
   .. automethod:: ASEDynamics.pause
   .. automethod:: ASEDynamics.play
   .. automethod:: ASEDynamics.reset
   .. automethod:: ASEDynamics.restart
   .. automethod:: ASEDynamics.run
   .. automethod:: ASEDynamics.start
   .. automethod:: ASEDynamics.start_broadcast
   .. automethod:: ASEDynamics.step
   .. automethod:: ASEDynamics.stop

   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~ASEDynamics.atoms
      ~ASEDynamics.dynamic_fields
      ~ASEDynamics.elapsed_steps
      ~ASEDynamics.elapsed_time
      ~ASEDynamics.forces
      ~ASEDynamics.imd
      ~ASEDynamics.is_paused
      ~ASEDynamics.is_playing
      ~ASEDynamics.is_running
      ~ASEDynamics.kinetic_energy
      ~ASEDynamics.masses
      ~ASEDynamics.molecular_dynamics
      ~ASEDynamics.on_field_changed
      ~ASEDynamics.on_post_step
      ~ASEDynamics.on_pre_step
      ~ASEDynamics.on_reset
      ~ASEDynamics.playback_interval
      ~ASEDynamics.playback_rate
      ~ASEDynamics.positions
      ~ASEDynamics.potential_energy
      ~ASEDynamics.temperature
      ~ASEDynamics.timestep
      ~ASEDynamics.total_steps
      ~ASEDynamics.total_time
      ~ASEDynamics.velocities

   
   .. autoattribute:: ASEDynamics.atoms
   .. autoattribute:: ASEDynamics.dynamic_fields
   .. autoattribute:: ASEDynamics.elapsed_steps
   .. autoattribute:: ASEDynamics.elapsed_time
   .. autoattribute:: ASEDynamics.forces
   .. autoattribute:: ASEDynamics.imd
   .. autoattribute:: ASEDynamics.is_paused
   .. autoattribute:: ASEDynamics.is_playing
   .. autoattribute:: ASEDynamics.is_running
   .. autoattribute:: ASEDynamics.kinetic_energy
   .. autoattribute:: ASEDynamics.masses
   .. autoattribute:: ASEDynamics.molecular_dynamics
   .. autoattribute:: ASEDynamics.on_field_changed
   .. autoattribute:: ASEDynamics.on_post_step
   .. autoattribute:: ASEDynamics.on_pre_step
   .. autoattribute:: ASEDynamics.on_reset
   .. autoattribute:: ASEDynamics.playback_interval
   .. autoattribute:: ASEDynamics.playback_rate
   .. autoattribute:: ASEDynamics.positions
   .. autoattribute:: ASEDynamics.potential_energy
   .. autoattribute:: ASEDynamics.temperature
   .. autoattribute:: ASEDynamics.timestep
   .. autoattribute:: ASEDynamics.total_steps
   .. autoattribute:: ASEDynamics.total_time
   .. autoattribute:: ASEDynamics.velocities