Descriptor ============== The descriptor module contains methods for describing the local atomic environment; that is, feature fectors that can be fed to machine-learning modules. Gaussian -------- .. automodule:: amp.descriptor.gaussian :members: :undoc-members: :show-inheritance: Zernike ------- .. automodule:: amp.descriptor.zernike :members: :undoc-members: :show-inheritance: Bispectrum ---------- .. automodule:: amp.descriptor.bispectrum :members: :undoc-members: :show-inheritance: Cutoff functions ---------------- .. automodule:: amp.descriptor.cutoffs :members: :undoc-members: :show-inheritance: Example ------- (This contains just a minimal example of how to build your own descriptor.) .. automodule:: amp.descriptor.example :members: :undoc-members: :show-inheritance: