Software - kim-api

Description

OpenKIM is an online framework for making molecular simulations reliable, reproducible, and portable. Computer implementations of inter- atomic 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. This package provides the kim-api library and supporting utilities. It also provides a small set of example models. To obtain all models archived at https://openkim.org that are compatible with the kim-api package, install and activate the openkim- models package too.

Website

https://openkim.org/

Variants installed

1. kim-api 2.2.1

   • Compiler: gcc 11.2.0
   • Architecture: zen2

   Spack Command

   $ spack load kim-api/7rlrces