kim-api

Framework for reliable, reproducible, portable molecular simulations

OpenKIM is an online framework for making molecular simulations reliable, reproducible, and portable. Computer implementations of interatomic models are archived in OpenKIM, verified for coding integrity, and tested by computing their predictions for a variety of material properties. Models conforming to the KIM application programming interface (API) work seamlessly with major simulation codes that have adopted the KIM API standard. You may also want to install the OpenKIM models package: openkim-models.