pydft_qmmm.hamiltonians

A sub-package containing the hamiltonian API for method selection.

Modules

hamiltonian	Base classes for the Hamiltonian API.
mm_hamiltonian	A Hamiltonian representing the MM level of theory.
qm_hamiltonian	A Hamiltonian representing the QM level of theory.
qmmm_hamiltonian	A Hamiltonian defining the inter-subsystem coupling in QM/MM.