opt_control_oct_m Module Reference

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	opt_control_nlopt_func (val, n, x, grad, need_gradient, f_data)
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 186 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 204 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 689 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 719 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 774 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 827 of file opt_control.F90.

opt_control_nlopt_func()

subroutine opt_control_oct_m::opt_control_nlopt_func ( real(c_double), intent(out)  val, integer(c_int), intent(in)  n, real(c_double), dimension(*), intent(in)  x, real(c_double), dimension(*), intent(out)  grad, integer(c_int), intent(in)  need_gradient, type(c_ptr), intent(in)  f_data  )

private

Definition at line 886 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 910 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 940 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 1026 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 1061 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 1101 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 1166 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 1428 of file opt_control.F90.

Variable Documentation

filter

type(filter_t), save opt_control_oct_m::filter

private

Module variables.

Definition at line 168 of file opt_control.F90.

oct

type(oct_t), save opt_control_oct_m::oct

private

Definition at line 169 of file opt_control.F90.

iterator

type(oct_iterator_t), save opt_control_oct_m::iterator

private

Definition at line 170 of file opt_control.F90.

oct_target

type(target_t), save opt_control_oct_m::oct_target

private

Definition at line 171 of file opt_control.F90.

initial_st

type(opt_control_state_t), save opt_control_oct_m::initial_st

private

Definition at line 172 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 176 of file opt_control.F90.

sys_

type(electrons_t), pointer opt_control_oct_m::sys_

private

Definition at line 177 of file opt_control.F90.

hm_

type(hamiltonian_elec_t), pointer opt_control_oct_m::hm_

private

Definition at line 178 of file opt_control.F90.

td_

type(td_t), pointer opt_control_oct_m::td_

private

Definition at line 179 of file opt_control.F90.

x_

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

private

Definition at line 180 of file opt_control.F90.

index_

integer opt_control_oct_m::index_

private

Definition at line 181 of file opt_control.F90.