31 lines
1.5 KiB
Plaintext
31 lines
1.5 KiB
Plaintext
This package provides a pair_style kim command which is a wrapper on
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the Knowledge Base for Interatomic Models (KIM) repository of
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interatomic potentials, so that they can be used by LAMMPS scripts.
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Information about the KIM project can be found at https://openkim.org.
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The KIM project is lead by Ellad Tadmor and Ryan Elliott (U Minn) and
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James Sethna (Cornell U). Ryan Elliott is the main developer for the
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KIM API and he also maintains the code that implements the pair_style
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kim command.
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Using this package requires the KIM library and its models
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(interatomic potentials) to be downloaded and installed on your
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system. The library can be downloaded and built in lib/kim or
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elsewhere on your system, which must be done before bulding LAMMPS
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with this package. Details of the download, build, and install
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process for KIM are given in the lib/kim/README file, and scripts will
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soon be provided to help automate the process. Also see the LAMMPS
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manual for general information on building LAMMPS with external
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libraries. The settings in the Makefile.lammps file in lib/kim must
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be correct for LAMMPS to build correctly with this package installed.
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However, the default settings should be correct in most cases and the
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Makefile.lammps file usually will not need to be changed.
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Once you have successfully built LAMMPS with this package and the KIM
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library you can test it using an input file from the examples dir:
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./lmp_serial < lammps/examples/kim/in.kim.lj
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This pair_style was written by Valeriu Smirichinski and Ryan
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S. Elliott (U Minn).
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