This module contains the main procedure ("opt_control_run") that is used when optimal control runs are requested. More...

Detailed Description

This module contains the main procedure ("opt_control_run") that is used when optimal control runs are requested.

Functions/Subroutines
subroutine, public	opt_control_run (system)

subroutine	opt_control_run_legacy (sys)
	This is the main procedure for all types of optimal control runs. It is called from the "run" procedure in the "run_m" module. More...

subroutine	f_zbr98 (sys, td, qcpsi, prop_psi, prop_chi, par)

subroutine	f_wg05 (sys, td, qcpsi, par, prop_psi, prop_chi, j1)

subroutine	f_striter (sys, td, par, j1)

subroutine	f_iter (sys, td, qcpsi, par, prop_psi, prop_chi, j1)

subroutine, public	opt_control_function_forward (x, f)

subroutine, public	opt_control_cg_calc (n, x, f, getgrad, df)

subroutine, public	opt_control_cg_write_info (iter, n, val, maxdx, maxdf, x)
	interface is required by its being passed as dummy routine to minimize_multidim More...

subroutine, public	opt_control_direct_calc (n, x, f)
	No intents here is unfortunately required because this will be passed to newuoa routines as a dummy function, whose interface has no intents. More...

subroutine, public	opt_control_direct_message_info (iter, n, val, maxdx, x)

subroutine	check_faulty_runmodes (sys, tr)

subroutine	oct_finalcheck (sys, td)

Variables
type(filter_t), save	filter
	Module variables. More...

type(oct_t), save	oct

type(oct_iterator_t), save	iterator

type(target_t), save	oct_target

type(opt_control_state_t), save	initial_st

type(controlfunction_t), save	par_
	For the direct, nlopt, and cg schemes: More...

type(electrons_t), pointer	sys_

type(hamiltonian_elec_t), pointer	hm_

type(td_t), pointer	td_

real(real64), dimension(:), allocatable	x_

integer	index_

Function/Subroutine Documentation

◆ opt_control_run()

subroutine, public opt_control_oct_m::opt_control_run ( class(*), intent(inout) system )

Definition at line 191 of file opt_control.F90.

◆ opt_control_run_legacy()

subroutine opt_control_oct_m::opt_control_run_legacy ( type(electrons_t), intent(inout), target sys )

private

This is the main procedure for all types of optimal control runs. It is called from the "run" procedure in the "run_m" module.

Definition at line 209 of file opt_control.F90.

◆ f_zbr98()

subroutine opt_control_oct_m::f_zbr98	(	type(electrons_t), intent(inout)	sys,
		type(td_t), intent(inout)	td,
		type(opt_control_state_t), intent(inout)	qcpsi,
		type(oct_prop_t), intent(inout)	prop_psi,
		type(oct_prop_t), intent(inout)	prop_chi,
		type(controlfunction_t), intent(inout)	par
	)

private

Definition at line 633 of file opt_control.F90.

◆ f_wg05()

subroutine opt_control_oct_m::f_wg05	(	type(electrons_t), intent(inout)	sys,
		type(td_t), intent(inout)	td,
		type(opt_control_state_t), intent(inout)	qcpsi,
		type(controlfunction_t), intent(inout)	par,
		type(oct_prop_t), intent(inout)	prop_psi,
		type(oct_prop_t), intent(inout)	prop_chi,
		real(real64), intent(out)	j1
	)

private

Definition at line 663 of file opt_control.F90.

◆ f_striter()

subroutine opt_control_oct_m::f_striter	(	type(electrons_t), intent(inout)	sys,
		type(td_t), intent(inout)	td,
		type(controlfunction_t), intent(inout)	par,
		real(real64), intent(out)	j1
	)

private

Definition at line 718 of file opt_control.F90.

◆ f_iter()

subroutine opt_control_oct_m::f_iter	(	type(electrons_t), intent(inout)	sys,
		type(td_t), intent(inout)	td,
		type(opt_control_state_t), intent(inout)	qcpsi,
		type(controlfunction_t), intent(inout)	par,
		type(oct_prop_t), intent(inout)	prop_psi,
		type(oct_prop_t), intent(inout)	prop_chi,
		real(real64), intent(out)	j1
	)

private

Definition at line 771 of file opt_control.F90.

◆ opt_control_function_forward()

subroutine, public opt_control_oct_m::opt_control_function_forward	(	real(real64), intent(in)	x,
		real(real64), intent(inout)	f
	)

The following routines are to be called by C routines, which in turn are called by the main procedure of this module, opt_control_run, which

is below.

Definition at line 835 of file opt_control.F90.

◆ opt_control_cg_calc()

subroutine, public opt_control_oct_m::opt_control_cg_calc	(	integer, intent(in)	n,
		real(real64), dimension(n), intent(in)	x,
		real(real64), intent(inout)	f,
		integer, intent(in)	getgrad,
		real(real64), dimension(n), intent(inout)	df
	)

Definition at line 865 of file opt_control.F90.

◆ opt_control_cg_write_info()

subroutine, public opt_control_oct_m::opt_control_cg_write_info	(	integer, intent(in)	iter,
		integer, intent(in)	n,
		real(real64), intent(in)	val,
		real(real64), intent(in)	maxdx,
		real(real64), intent(in)	maxdf,
		real(real64), dimension(n), intent(in)	x
	)

interface is required by its being passed as dummy routine to minimize_multidim

Definition at line 951 of file opt_control.F90.

◆ opt_control_direct_calc()

subroutine, public opt_control_oct_m::opt_control_direct_calc	(	integer	n,
		real(real64), dimension(n)	x,
		real(real64)	f
	)

No intents here is unfortunately required because this will be passed to newuoa routines as a dummy function, whose interface has no intents.

Definition at line 986 of file opt_control.F90.

◆ opt_control_direct_message_info()

subroutine, public opt_control_oct_m::opt_control_direct_message_info	(	integer, intent(in)	iter,
		integer, intent(in)	n,
		real(real64), intent(in)	val,
		real(real64), intent(in)	maxdx,
		real(real64), dimension(n), intent(in)	x
	)

Definition at line 1026 of file opt_control.F90.

◆ check_faulty_runmodes()

subroutine opt_control_oct_m::check_faulty_runmodes	(	type(electrons_t), intent(in)	sys,
		type(propagator_base_t), intent(in)	tr
	)

private

Definition at line 1091 of file opt_control.F90.

◆ oct_finalcheck()

subroutine opt_control_oct_m::oct_finalcheck	(	type(electrons_t), intent(inout)	sys,
		type(td_t), intent(inout)	td
	)

private

Definition at line 1353 of file opt_control.F90.

Variable Documentation

◆ filter

type(filter_t), save opt_control_oct_m::filter

private

Module variables.

Definition at line 173 of file opt_control.F90.

◆ oct

type(oct_t), save opt_control_oct_m::oct

private

Definition at line 174 of file opt_control.F90.

◆ iterator

type(oct_iterator_t), save opt_control_oct_m::iterator

private

Definition at line 175 of file opt_control.F90.

◆ oct_target

type(target_t), save opt_control_oct_m::oct_target

private

Definition at line 176 of file opt_control.F90.

◆ initial_st

type(opt_control_state_t), save opt_control_oct_m::initial_st

private

Definition at line 177 of file opt_control.F90.

◆ par_

type(controlfunction_t), save opt_control_oct_m::par_

private

For the direct, nlopt, and cg schemes:

Definition at line 181 of file opt_control.F90.

◆ sys_

type(electrons_t), pointer opt_control_oct_m::sys_

private

Definition at line 182 of file opt_control.F90.

◆ hm_

type(hamiltonian_elec_t), pointer opt_control_oct_m::hm_

private

Definition at line 183 of file opt_control.F90.

◆ td_

type(td_t), pointer opt_control_oct_m::td_

private

Definition at line 184 of file opt_control.F90.

◆ x_

real(real64), dimension(:), allocatable opt_control_oct_m::x_

private

Definition at line 185 of file opt_control.F90.

◆ index_

integer opt_control_oct_m::index_

private

Definition at line 186 of file opt_control.F90.

Detailed Description

Functions/Subroutines

Variables

Function/Subroutine Documentation

◆ opt_control_run()

◆ opt_control_run_legacy()

◆ f_zbr98()

◆ f_wg05()

◆ f_striter()

◆ f_iter()

◆ opt_control_function_forward()

is below.

◆ opt_control_cg_calc()

◆ opt_control_cg_write_info()

◆ opt_control_direct_calc()

◆ opt_control_direct_message_info()

◆ check_faulty_runmodes()

◆ oct_finalcheck()

Variable Documentation

◆ filter

◆ oct

◆ iterator

◆ oct_target

◆ initial_st

◆ par_

◆ sys_

◆ hm_

◆ td_

◆ x_

◆ index_