Testing framework for silicon interatomic potentials
This is a lightweight set of python scripts that facilitate the testing of predictions of interatomic potentials for a wide range of material properties. The Atomic Simulation Environment is used to "tie together" the potentials and the tests. ASE includes an interface to LAMMPS, so models can be created through that route as well.
Feel free to fork this code to create tests for other materials!
modelsdirectory containing each model (DFTB and analytical interatomic potentials)
testsscripts for doing tests
shareutilities used by tests
test-runnerplace to run tests, including script "run_model_test.py" that actually runs a given test with a given model