User Guide#
The main utility class in PROFESS-AD is the System class, detailed in the System page. The functionals implemented
can be found in the Energy Terms and Functionals page. To support functional development, various utility functions for implementing
functionals can be found in the Functional Tools section. The Crystal Tools page details a convenience function
that provides simple crystal structures in terms of PyTorch tensors. Tools for extracting elastic properties from OFDFT simulations
can be found in the Elastic Tools page. Documentation for certain ion-related utility functions used in the
System class can be found in Ion Utility Functions.