nanover.omni package

Multirunner server for NanoVer.

Submodules

• nanover.omni.ase module
  • ASEAtomsToFrameData
  • ASESimulation
    • ASESimulation.advance_by_one_step()
    • ASESimulation.advance_by_seconds()
    • ASESimulation.advance_to_next_report()
    • ASESimulation.atoms
    • ASESimulation.from_ase_dynamics()
    • ASESimulation.load()
    • ASESimulation.make_regular_frame()
    • ASESimulation.make_topology_frame()
    • ASESimulation.reset()
  • InitialState
    • InitialState.cell
    • InitialState.positions
    • InitialState.velocities
• nanover.omni.ase_omm module
  • ASEOpenMMSimulation
    • ASEOpenMMSimulation.from_simulation()
    • ASEOpenMMSimulation.load()
  • make_default_ase_omm_dynamics()
• nanover.omni.cli module
  • get_all_paths()
  • handle_user_arguments()
  • initialise_runner()
  • main()
• nanover.omni.omni module
  • InternalRunner
    • InternalRunner.handle_signals()
    • InternalRunner.play_step_interval
    • InternalRunner.run()
  • OmniRunner
    • OmniRunner.add_simulation()
    • OmniRunner.app_server
    • OmniRunner.close()
    • OmniRunner.is_paused
    • OmniRunner.list()
    • OmniRunner.load()
    • OmniRunner.next()
    • OmniRunner.pause()
    • OmniRunner.play()
    • OmniRunner.print_basic_info_and_wait()
    • OmniRunner.reset()
    • OmniRunner.runner
    • OmniRunner.set_simulation_selections()
    • OmniRunner.simulation
    • OmniRunner.step()
    • OmniRunner.with_basic_server()
  • Simulation
    • Simulation.advance_by_one_step()
    • Simulation.advance_by_seconds()
    • Simulation.load()
    • Simulation.name
    • Simulation.reset()
• nanover.omni.openmm module
  • OpenMMSimulation
    • OpenMMSimulation.add_contribution_to_work()
    • OpenMMSimulation.advance_by_one_step()
    • OpenMMSimulation.advance_by_seconds()
    • OpenMMSimulation.advance_to_next_report()
    • OpenMMSimulation.frame_interval
    • OpenMMSimulation.from_simulation()
    • OpenMMSimulation.from_xml_path()
    • OpenMMSimulation.include_forces
    • OpenMMSimulation.include_velocities
    • OpenMMSimulation.load()
    • OpenMMSimulation.make_regular_frame()
    • OpenMMSimulation.make_topology_frame()
    • OpenMMSimulation.platform_name
    • OpenMMSimulation.reset()
• nanover.omni.playback module
  • PlaybackSimulation
    • PlaybackSimulation.advance_by_one_step()
    • PlaybackSimulation.advance_by_seconds()
    • PlaybackSimulation.advance_to_next_entry()
    • PlaybackSimulation.emit()
    • PlaybackSimulation.from_paths()
    • PlaybackSimulation.load()
    • PlaybackSimulation.reset()
• nanover.omni.record module
  • record_from_server()
  • record_state()
  • record_trajectory()
• nanover.omni.rich module
  • OmniTextualApp
    • OmniTextualApp.BINDINGS
    • OmniTextualApp.CSS_PATH
    • OmniTextualApp.TITLE
    • OmniTextualApp.compose()
    • OmniTextualApp.on_button_pressed()
    • OmniTextualApp.on_mount()
    • OmniTextualApp.update()