propagator_oct_m::propagator_t Type Reference

Abstract class implementing propagators. More...

Detailed Description

Abstract class implementing propagators.

Propagators are implemented as a state machine. This abstract class defines the steps which are independent of the actual propatation algorithm, and also independent of the system, to which is is applied.

Definition at line 130 of file propagator.F90.

Inheritance diagram for propagator_oct_m::propagator_t:

Public Attributes
class(system_t), pointer, public	system
logical, public	predictor_corrector = .false.
integer, public	scf_count
integer, public	max_scf_count
real(8), public	scf_tol
real(8), public	final_time = M_ZERO
Public Attributes inherited from algorithm_oct_m::algorithm_t
type(algorithm_iterator_t), public	iter
type(algorithmic_operation_t), public	start_step
type(algorithmic_operation_t), public	final_step
integer, public	algo_steps
real(8), public	dt
logical, public	inside_scf = .false.
type(clock_t), public	clock
real(8), public	elapsed_time = M_ZERO
logical, public	is_static = .false.
Public Attributes inherited from linked_list_oct_m::linked_list_t
integer, public	size = 0

Private Member Functions
procedure	do_operation => propagator_do_operation
	perform one operation of the state machine More...
procedure	finished => propagator_finished
	indicate whether a propagation has reached the final time More...
procedure	save_scf_start => propagator_save_scf_start
	Save the current iteration state (START_SCF_LOOP) and move to next step. More...
procedure	rewind_scf_loop => propagator_rewind_scf_loop
	Reset the iteration state to the beginning of the loop (START_SCF_LOOP) and move to next step. More...

Private Attributes
type(algorithm_iterator_t)	scf_start
	Options related to predictor-corrector propagators. More...

Member Function/Subroutine Documentation

do_operation()

procedure propagator_oct_m::propagator_t::do_operation

private

perform one operation of the state machine

this routine performs operations which are general (not system specific).

Definition at line 145 of file propagator.F90.

finished()

procedure propagator_oct_m::propagator_t::finished

private

indicate whether a propagation has reached the final time

Definition at line 146 of file propagator.F90.

save_scf_start()

procedure propagator_oct_m::propagator_t::save_scf_start

private

Save the current iteration state (START_SCF_LOOP) and move to next step.

Definition at line 147 of file propagator.F90.

rewind_scf_loop()

procedure propagator_oct_m::propagator_t::rewind_scf_loop

private

Reset the iteration state to the beginning of the loop (START_SCF_LOOP) and move to next step.

Definition at line 148 of file propagator.F90.

Member Data Documentation

system

class(system_t), pointer, public propagator_oct_m::propagator_t::system

Definition at line 132 of file propagator.F90.

scf_start

type(algorithm_iterator_t) propagator_oct_m::propagator_t::scf_start

private

Options related to predictor-corrector propagators.

Definition at line 134 of file propagator.F90.

predictor_corrector

logical, public propagator_oct_m::propagator_t::predictor_corrector = .false.

Definition at line 137 of file propagator.F90.

scf_count

integer, public propagator_oct_m::propagator_t::scf_count

Definition at line 138 of file propagator.F90.

max_scf_count

integer, public propagator_oct_m::propagator_t::max_scf_count

Definition at line 139 of file propagator.F90.

scf_tol

real(8), public propagator_oct_m::propagator_t::scf_tol

Definition at line 140 of file propagator.F90.

final_time

real(8), public propagator_oct_m::propagator_t::final_time = M_ZERO

Definition at line 142 of file propagator.F90.

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The documentation for this type was generated from the following file:

• multisystem/propagator.F90