.. _mlip_simulation:

.. module:: mlip.simulation

Simulations
===========

This module contains all code related to simulations (e.g., MD or energy minimizations).

.. toctree::
    :maxdepth: 1

    simulation_engine
    sim_config
    simulation_state
    enums
    graph_from_atoms
    jaxmd_engine
    jaxmd_sim_config
    ase_engine
    ase_calculator
    ase_sim_config
    temperature_scheduling
    batched_inference