KIM
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This package provides the kim_init, kim_query, kim_interactions, and the pair_style kim command which are wrappers on the Knowledgebase of Interatomic Models (KIM) repository of interatomic potentials, so that they can be used by LAMMPS scripts. Information about the KIM project can be found at https://openkim.org. The KIM project is lead by Ellad B. Tadmor and Ryan S. Elliott (UMN). Ryan Elliott is the main developer for the KIM API and he also maintains the code that implements these commands. Using this package requires the KIM-API library and its models (interatomic potentials) to be downloaded and installed on your system. The library can be downloaded and built in lib/kim or elsewhere on your system, which must be done before building LAMMPS with this package. Details of the download, build, and install process for the KIM-API are given in the lib/kim/README file, and scripts are provided to help automate the process. Also see the LAMMPS manual for general information on building LAMMPS with external libraries. The settings in the Makefile.lammps file in lib/kim must be correct for LAMMPS to build correctly with this package installed. However, the default settings should be correct in most cases and the Makefile.lammps file usually will not need to be changed. Once you have successfully built LAMMPS with this package and the KIM library you can test it using an input files in the examples dir: ./lmp_serial -in lammps/examples/kim/in.kim.lj These commands were written by Ryan S. Elliott (UMN), Ellad B. Tadmor (UMN) and Axel Kohlmeyer (Temple U).