lammps/lib/kim

This directory contains links to the KIM library which is required to
use the KIM package and its pair_style kim command in a LAMMPS input
script.

Information about the KIM project can be found at https://openkim.org.
It's PIs are Ellad Tadmor and Ryan Elliott (U Minn).

To download, build, and install the KIM API on your system, follow
these steps.  We are working on scripts that will automate this
process.

The KIM API is available for download from "this
site"_https://openkim.org, namely https://openkim.org.  The tarball
you download is "kim-api-vX.X.X.tgz", which can be unpacked in
this directory or whereever you wish:

tar xvfz kim*tgz

Note that if you unpack and build KIM in this directory, when you
download a new LAMMPS tarball, the files you have added here will
be lost.  So you likely want to build it somewhere else.

The kim-api-vX.X.X/docs/ directory has further documentation for the
KIM API.  In order to compile and install the KIM API follow the
instructions found in the file kim-api-vX.X.X/INSTALL.  (Don't forget
to download and compile any Model Drivers and Models that you want to
use.)

Once you have successfully compiled and installed the KIM API, you
need to make sure the utility kim-api-build-config is in your PATH
so that the LAMMPS build system can properly work with the KIM API.

The following are example commands that perform these steps:

# replace X.X.X as appropriate here and below
wget http://s3.openkim.org/kim-api/kim-api-vX.X.X.tgz     
tar zxvf kim-api-vX.X.X.tgz

# get OpenKIM models, setup and compile
cd kim-api-vX.X.X
cp Makefile.KIM_Config.example Makefile.KIM_Config

# edit this file as appropriate following the instructions given in INSTALL
vi Makefile.KIM_Config  

make add-EAM_Dynamo_Angelo_Moody_NiAlH__MO_418978237058_001
make
make install

# replace X with the KIM API major version number
make install-set-default-to-vX  

# add example for setting the PATH to include kim-api-build-config ??

When these steps are complete you can build LAMMPS with the KIM
package installed:

% cd lammps/src
% make yes-kim
% make g++ (or whatever target you wish)

Note that the Makefile.lammps file in this directory is required
to allow the LAMMPS build to find the necessary KIM files.  You
should not normally need to edit this file.