eigensolver_oct_m Module Reference

Data Types
type	eigensolver_t

Functions/Subroutines
subroutine, public	eigensolver_init (eigens, namespace, gr, st, hm, mc, space, deactivate_oracle)
subroutine, public	eigensolver_end (eigens)
subroutine	eigensolver_run (eigens, namespace, gr, st, hm, space, ext_partners, iter, conv, nstconv)
logical function	eigensolver_parallel_in_states (this)
logical function	eigensolver_has_progress_bar (this)
pure subroutine	eigensolver_set_lower_bound_is_known (this, known_lower_bound)
	Set the flag lower_bound_is_known. More...
subroutine	deigensolver_run (eigens, namespace, mesh, st, hm, space, ext_partners, iter)
subroutine	zeigensolver_run (eigens, namespace, mesh, st, hm, space, ext_partners, iter)

Variables
integer, parameter, public	rs_cg = 5
integer, parameter, public	rs_evo = 9
integer, parameter, public	rs_rmmdiis = 10
integer, parameter, public	rs_chebyshev = 12

Function/Subroutine Documentation

eigensolver_init()

subroutine, public eigensolver_oct_m::eigensolver_init	(	type(eigensolver_t), intent(out)	eigens,
		type(namespace_t), intent(in)	namespace,
		type(grid_t), intent(in)	gr,
		type(states_elec_t), intent(in)	st,
		type(hamiltonian_elec_t), intent(in)	hm,
		type(multicomm_t), intent(in)	mc,
		class(space_t), intent(in)	space,
		logical, intent(in), optional	deactivate_oracle
	)

Definition at line 228 of file eigensolver.F90.

eigensolver_end()

subroutine, public eigensolver_oct_m::eigensolver_end

(

type(eigensolver_t), intent(inout)

eigens

)

Definition at line 616 of file eigensolver.F90.

eigensolver_run()

subroutine eigensolver_oct_m::eigensolver_run ( class(eigensolver_t), intent(inout)  eigens, type(namespace_t), intent(in)  namespace, type(grid_t), intent(in)  gr, type(states_elec_t), intent(inout)  st, type(hamiltonian_elec_t), intent(inout)  hm, class(space_t), intent(in)  space, type(partner_list_t), intent(in)  ext_partners, integer, intent(in)  iter, logical, intent(out), optional  conv, integer, intent(in), optional  nstconv  )

private

Parameters

[in]

nstconv

Number of states considered for

Definition at line 637 of file eigensolver.F90.

eigensolver_parallel_in_states()

logical function eigensolver_oct_m::eigensolver_parallel_in_states ( type(eigensolver_t), intent(in)  this )

private

Definition at line 686 of file eigensolver.F90.

eigensolver_has_progress_bar()

logical function eigensolver_oct_m::eigensolver_has_progress_bar ( type(eigensolver_t), intent(in)  this )

private

Definition at line 703 of file eigensolver.F90.

eigensolver_set_lower_bound_is_known()

pure subroutine eigensolver_oct_m::eigensolver_set_lower_bound_is_known ( class(eigensolver_t), intent(inout)  this, logical, intent(in)  known_lower_bound  )

private

Set the flag lower_bound_is_known.

Definition at line 719 of file eigensolver.F90.

deigensolver_run()

subroutine eigensolver_oct_m::deigensolver_run ( type(eigensolver_t), intent(inout)  eigens, type(namespace_t), intent(in)  namespace, class(mesh_t), intent(in)  mesh, type(states_elec_t), intent(inout)  st, type(hamiltonian_elec_t), intent(inout)  hm, class(space_t), intent(in)  space, type(partner_list_t), intent(in)  ext_partners, integer, intent(in)  iter  )

private

Parameters

[in]

iter

Current SCF iteration

Definition at line 795 of file eigensolver.F90.

zeigensolver_run()

subroutine eigensolver_oct_m::zeigensolver_run ( type(eigensolver_t), intent(inout)  eigens, type(namespace_t), intent(in)  namespace, class(mesh_t), intent(in)  mesh, type(states_elec_t), intent(inout)  st, type(hamiltonian_elec_t), intent(inout)  hm, class(space_t), intent(in)  space, type(partner_list_t), intent(in)  ext_partners, integer, intent(in)  iter  )

private

Parameters

[in]

iter

Current SCF iteration

Definition at line 933 of file eigensolver.F90.

Variable Documentation

rs_cg

integer, parameter, public eigensolver_oct_m::rs_cg = 5

Definition at line 219 of file eigensolver.F90.

rs_evo

integer, parameter, public eigensolver_oct_m::rs_evo = 9

Definition at line 219 of file eigensolver.F90.

rs_rmmdiis

integer, parameter, public eigensolver_oct_m::rs_rmmdiis = 10

Definition at line 219 of file eigensolver.F90.

rs_chebyshev

integer, parameter, public eigensolver_oct_m::rs_chebyshev = 12

Definition at line 219 of file eigensolver.F90.