forte2.dsrg.dsrg_base

Module Contents

class forte2.dsrg.dsrg_base.DSRGBase

Bases: forte2.base_classes.SystemMixin, forte2.base_classes.MOsMixin, forte2.base_classes.MOSpaceMixin, abc.ABC

Base class for DSRG methods.

flow_param: float = 0.5

relax_reference: int | str | bool = False

relax_maxiter: int = 10

relax_tol: float = 1e-06

frozen_core_orbitals: int | list[int] = None

frozen_virtual_orbitals: int | list[int] = None

executed: bool = False

converged: bool = False

run()

test_relaxation_convergence(irelax)

abstractmethod solve_dsrg()

abstractmethod do_reference_relaxation()

abstractmethod get_integrals()