lammps/examples/PACKAGES/pod/README.md

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 .

Fit a POD potential for tantalum

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

lmp -in in.podfit

See the README in lammps/examples/PACKAGES/pod/Ta for instructions on how to run MD with the potential.

Examples for other materials

See https://github.com/cesmix-mit/pod-examples