mythos.simulators.jax_md.jaxmd ============================== .. py:module:: mythos.simulators.jax_md.jaxmd .. autoapi-nested-parse:: A sampler based on running a jax_md simulation routine. Attributes ---------- .. autoapisummary:: mythos.simulators.jax_md.jaxmd.SIM_STATE Classes ------- .. autoapisummary:: mythos.simulators.jax_md.jaxmd.JaxMDSimulator Functions --------- .. autoapisummary:: mythos.simulators.jax_md.jaxmd.build_run_fn Module Contents --------------- .. py:data:: SIM_STATE .. py:class:: JaxMDSimulator Bases: :py:obj:`mythos.simulators.base.Simulator` A sampler based on running a jax_md simulation routine. .. py:attribute:: energy_fn :type: mythos.energy.base.EnergyFunction .. py:attribute:: simulator_params :type: mythos.simulators.jax_md.utils.StaticSimulatorParams .. py:attribute:: space :type: jax_md.space.Space .. py:attribute:: simulator_init :type: collections.abc.Callable[[collections.abc.Callable, collections.abc.Callable], jax_md.simulate.Simulator] .. py:attribute:: neighbors :type: mythos.simulators.jax_md.utils.NeighborHelper .. py:method:: __post_init__() -> None Builds the run function using the provided parameters. .. py:function:: build_run_fn(energy_fn: mythos.energy.base.EnergyFunction, simulator_params: mythos.simulators.jax_md.utils.StaticSimulatorParams, space: jax_md.space.Space, simulator_init: collections.abc.Callable[[collections.abc.Callable, collections.abc.Callable], jax_md.simulate.Simulator], neighbors: mythos.simulators.jax_md.utils.NeighborHelper) -> collections.abc.Callable[[dict[str, float], jax_md.rigid_body.RigidBody, int, jax.random.PRNGKey], mythos.input.trajectory.Trajectory] Builds the run function for the jax_md simulation.