.. : PyBEST: Pythonic Black-box Electronic Structure Tool : Copyright (C) 2016-- The PyBEST Development Team : : This file is part of PyBEST. : : PyBEST is free software; you can redistribute it and/or : modify it under the terms of the GNU General Public License : as published by the Free Software Foundation; either version 3 : of the License, or (at your option) any later version. : : PyBEST is distributed in the hope that it will be useful, : but WITHOUT ANY WARRANTY; without even the implied warranty of : MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the : GNU General Public License for more details. : : You should have received a copy of the GNU General Public License : along with this program; if not, see : -- .. _user_hamiltonian: Defining Basis Sets, Molecular Geometries, and Hamiltonians ########################################################### .. toctree:: :maxdepth: 3 user_hamiltonian_intro user_hamiltonian_molecular user_hamiltonian_model user_hamiltonian_io user_hamiltonian_transformation user_hamiltonian_activespace user_hamiltonian_list_of_ints