qrunch.chemistry.molecular_orbital_calculators.mean_field

Module containing PyScf solvers employing mean-field methods.

Modules

creators	Module that contains the creators for the mean-field calculators.
density_functional_theory	Wrapper around the PySCF density functional theory (DFT) calculator.
hartree_fock	Restricted and unrestricted Hartree-Fock (HF) calculators.
mean_field_protocols	Contains the interface for the mean-field chemistry calculators.
mean_field_utils	Utility methods for mean-field calculators.