qrunch.chemistry.molecular_orbital_calculators

Module containing classes for calculating molecular orbitals.

The calculators are divided into mean field calculators and electron correlation calculators.

Modules

creators	Module containing creators for the mean-field calculators.
custom_molecular_orbital_calculator	Adapter making a user-supplied molecular orbital solver usable everywhere in qrunch.
electron_correlation	Module containing MP2 and CCSD molecular orbital solvers.
mean_field	Module containing PyScf solvers employing mean-field methods.
molecular_orbital_calculators_protocols	Contains the molecular orbital calculators.