Files
lammps/examples/pod
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..
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2022-11-02 09:20:20 -04:00
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Compile LAMMPS/POD

Go to lammps directory and build with the POD package:

cd path/to/lammps
mkdir build-pod
cd build-pod
cmake -C ../cmake/presets/basic.cmake -D PKG_ML-POD=on ../cmake
cmake --build .

Run an example to fit a POD potential for Tantalum element

Go to lammps/examples/pod/Ta directory and run

../../../build-pod/lmp -in in.podfit -sc tmp

Also see the README in this directory for instructions on how to run MD with the potential.

Examples for other materials

See https://github.com/cesmix-mit/pod_examples