LAMMPSSimulation
================

.. currentmodule:: narupatools.lammps.simulation

.. autoclass:: LAMMPSSimulation

   .. rubric:: Inheritance

   .. inheritance-diagram:: LAMMPSSimulation
      :parts: 1

   

   
   .. rubric:: Methods

   .. autosummary::
      :nosignatures:
   
      ~LAMMPSSimulation.__init__
      ~LAMMPSSimulation.add_imd_force
      ~LAMMPSSimulation.clear_imd_force
      ~LAMMPSSimulation.command
      ~LAMMPSSimulation.create_atom
      ~LAMMPSSimulation.create_box
      ~LAMMPSSimulation.create_new
      ~LAMMPSSimulation.create_region
      ~LAMMPSSimulation.eval
      ~LAMMPSSimulation.extract_compute
      ~LAMMPSSimulation.file
      ~LAMMPSSimulation.from_file
      ~LAMMPSSimulation.gather_atoms
      ~LAMMPSSimulation.get_frame
      ~LAMMPSSimulation.get_imd_forces
      ~LAMMPSSimulation.run
      ~LAMMPSSimulation.set_imd_force
      ~LAMMPSSimulation.set_mass
      ~LAMMPSSimulation.setup_langevin

   
   .. automethod:: LAMMPSSimulation.__init__
   .. automethod:: LAMMPSSimulation.add_imd_force
   .. automethod:: LAMMPSSimulation.clear_imd_force
   .. automethod:: LAMMPSSimulation.command
   .. automethod:: LAMMPSSimulation.create_atom
   .. automethod:: LAMMPSSimulation.create_box
   .. automethod:: LAMMPSSimulation.create_new
   .. automethod:: LAMMPSSimulation.create_region
   .. automethod:: LAMMPSSimulation.eval
   .. automethod:: LAMMPSSimulation.extract_compute
   .. automethod:: LAMMPSSimulation.file
   .. automethod:: LAMMPSSimulation.from_file
   .. automethod:: LAMMPSSimulation.gather_atoms
   .. automethod:: LAMMPSSimulation.get_frame
   .. automethod:: LAMMPSSimulation.get_imd_forces
   .. automethod:: LAMMPSSimulation.run
   .. automethod:: LAMMPSSimulation.set_imd_force
   .. automethod:: LAMMPSSimulation.set_mass
   .. automethod:: LAMMPSSimulation.setup_langevin

   
   

   
   
   .. rubric:: Attributes

   .. autosummary::
   
      ~LAMMPSSimulation.atom_ids
      ~LAMMPSSimulation.charges
      ~LAMMPSSimulation.command_history
      ~LAMMPSSimulation.computes
      ~LAMMPSSimulation.forces
      ~LAMMPSSimulation.kinetic_energy
      ~LAMMPSSimulation.lammps_packages
      ~LAMMPSSimulation.masses
      ~LAMMPSSimulation.positions
      ~LAMMPSSimulation.potential_energy
      ~LAMMPSSimulation.pressure
      ~LAMMPSSimulation.region_ids
      ~LAMMPSSimulation.temperature
      ~LAMMPSSimulation.timestep
      ~LAMMPSSimulation.universe
      ~LAMMPSSimulation.velocities

   
   .. autoattribute:: LAMMPSSimulation.atom_ids
   .. autoattribute:: LAMMPSSimulation.charges
   .. autoattribute:: LAMMPSSimulation.command_history
   .. autoattribute:: LAMMPSSimulation.computes
   .. autoattribute:: LAMMPSSimulation.forces
   .. autoattribute:: LAMMPSSimulation.kinetic_energy
   .. autoattribute:: LAMMPSSimulation.lammps_packages
   .. autoattribute:: LAMMPSSimulation.masses
   .. autoattribute:: LAMMPSSimulation.positions
   .. autoattribute:: LAMMPSSimulation.potential_energy
   .. autoattribute:: LAMMPSSimulation.pressure
   .. autoattribute:: LAMMPSSimulation.region_ids
   .. autoattribute:: LAMMPSSimulation.temperature
   .. autoattribute:: LAMMPSSimulation.timestep
   .. autoattribute:: LAMMPSSimulation.universe
   .. autoattribute:: LAMMPSSimulation.velocities