OpenKIM

OpenKIM is an online suite of open source tools for molecular simulation of materials. These tools help to make molecular simulation more accessible and more reliable. Within OpenKIM, you will find an online resource for standardized testing and long-term warehousing of interatomic models and data, and an application programming interface (API) standard for coupling atomistic simulation codes and interatomic potential subroutines.

OpenKIM系一套开源工具的在线集合，旨在进行材料的分子模拟。这些工具旨在提高分子模拟的易用性和可靠性。在OpenKIM中，您将发现一个在线资源，用于标准化测试和长期存储原子模型及数据，以及用于连接原子模拟代码和原子间势子例程的应用程序编程接口（API）标准。