Quick Start Guide
An AutoHF calculation typically consists of two steps.
Construct an
autohf.AutoHFHamiltonianfrom a set of onebody and interaction terms.Find a Hartree-Fock solution by running
autohf.solve_hf().
The User Examples contain specific examples for how to do this for a variety of models.
The AutoHF API Reference of the above functions documents all supported Hamiltonian terms and configuration settings, respectively.