eigen_cg_oct_m Module Reference

Functions/Subroutines
subroutine, public	deigensolver_cg (namespace, mesh, st, hm, xc, pre, tol, niter, converged, ik, diff, energy_change_threshold, orthogonalize_to_all, conjugate_direction, additional_terms, shift)
	conjugate-gradients method. More...
subroutine, public	zeigensolver_cg (namespace, mesh, st, hm, xc, pre, tol, niter, converged, ik, diff, energy_change_threshold, orthogonalize_to_all, conjugate_direction, additional_terms, shift)
	conjugate-gradients method. More...

Function/Subroutine Documentation

deigensolver_cg()

subroutine, public eigen_cg_oct_m::deigensolver_cg	(	type(namespace_t), intent(in)	namespace,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(inout)	st,
		type(hamiltonian_elec_t), intent(in)	hm,
		type(xc_t), intent(in)	xc,
		type(preconditioner_t), intent(in)	pre,
		real(real64), intent(in)	tol,
		integer, intent(inout)	niter,
		integer, intent(inout)	converged,
		integer, intent(in)	ik,
		real(real64), dimension(:), intent(out)	diff,
		real(real64), intent(in)	energy_change_threshold,
		logical, intent(in)	orthogonalize_to_all,
		integer, intent(in)	conjugate_direction,
		logical, intent(in)	additional_terms,
		real(real64), dimension(:,:), intent(in), optional, pointer	shift
	)

conjugate-gradients method.

Parameters

[out]

diff

(1:stnst)

Definition at line 194 of file eigen_cg.F90.

zeigensolver_cg()

subroutine, public eigen_cg_oct_m::zeigensolver_cg	(	type(namespace_t), intent(in)	namespace,
		class(mesh_t), intent(in)	mesh,
		type(states_elec_t), intent(inout)	st,
		type(hamiltonian_elec_t), intent(in)	hm,
		type(xc_t), intent(in)	xc,
		type(preconditioner_t), intent(in)	pre,
		real(real64), intent(in)	tol,
		integer, intent(inout)	niter,
		integer, intent(inout)	converged,
		integer, intent(in)	ik,
		real(real64), dimension(:), intent(out)	diff,
		real(real64), intent(in)	energy_change_threshold,
		logical, intent(in)	orthogonalize_to_all,
		integer, intent(in)	conjugate_direction,
		logical, intent(in)	additional_terms,
		real(real64), dimension(:,:), intent(in), optional, pointer	shift
	)

conjugate-gradients method.

Parameters

[out]

diff

(1:stnst)

Definition at line 745 of file eigen_cg.F90.