propagator_oct_m Module Reference

This module implements the basic propagator framework. More...

Detailed Description

This module implements the basic propagator framework.

Data Types
type	propagator_t
	Abstract class implementing propagators. More...

Functions/Subroutines
logical function	propagator_do_operation (this, operation)
	Try to perform one operation of the algorithm. Return .true. if sucessful. More...
logical function	propagator_finished (this)
	indicate whether a propagation has reached the final time More...
subroutine	propagator_init_iteration_counters (this)
	Initialize the propagator and system clocks. More...
subroutine	propagator_save_scf_start (this)
	Save the current iteration state (START_SCF_LOOP) and move to next step. More...
subroutine	propagator_rewind_scf_loop (this)
	Reset the iteration state to the beginning of the loop (START_SCF_LOOP) and move to next step. More...

Variables
character(len=algo_label_len), parameter, public	start_scf_loop = 'START_SCF_LOOP'
character(len=algo_label_len), parameter, public	end_scf_loop = 'END_SCF_LOOP'
character(len=algo_label_len), parameter, public	store_current_status = 'STORE_CURRENT_STATUS'
type(algorithmic_operation_t), parameter, public	op_start_scf_loop = algorithmic_operation_t(START_SCF_LOOP, 'Starting SCF loop')
type(algorithmic_operation_t), parameter, public	op_end_scf_loop = algorithmic_operation_t(END_SCF_LOOP, 'End of SCF iteration')
type(algorithmic_operation_t), parameter, public	op_store_current_status = algorithmic_operation_t(STORE_CURRENT_STATUS, 'Store current status')

Function/Subroutine Documentation

propagator_do_operation()

logical function propagator_oct_m::propagator_do_operation ( class(propagator_t), intent(inout)  this, type(algorithmic_operation_t), intent(in)  operation  )

private

Try to perform one operation of the algorithm. Return .true. if sucessful.

Definition at line 183 of file propagator.F90.

propagator_finished()

logical function propagator_oct_m::propagator_finished ( class(propagator_t), intent(in)  this )

private

indicate whether a propagation has reached the final time

Definition at line 249 of file propagator.F90.

propagator_init_iteration_counters()

subroutine propagator_oct_m::propagator_init_iteration_counters ( class(propagator_t), intent(inout)  this )

private

Initialize the propagator and system clocks.

Note that we initialize the system clock here because it requires knowledge of the time-step.

Definition at line 264 of file propagator.F90.

propagator_save_scf_start()

subroutine propagator_oct_m::propagator_save_scf_start ( class(propagator_t), intent(inout)  this )

private

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

Definition at line 274 of file propagator.F90.

propagator_rewind_scf_loop()

subroutine propagator_oct_m::propagator_rewind_scf_loop ( class(propagator_t), intent(inout)  this )

private

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

Definition at line 289 of file propagator.F90.

Variable Documentation

start_scf_loop

character(len=algo_label_len), parameter, public propagator_oct_m::start_scf_loop = 'START_SCF_LOOP'

Definition at line 167 of file propagator.F90.

end_scf_loop

character(len=algo_label_len), parameter, public propagator_oct_m::end_scf_loop = 'END_SCF_LOOP'

Definition at line 167 of file propagator.F90.

store_current_status

character(len=algo_label_len), parameter, public propagator_oct_m::store_current_status = 'STORE_CURRENT_STATUS'

Definition at line 167 of file propagator.F90.

op_start_scf_loop

type(algorithmic_operation_t), parameter, public propagator_oct_m::op_start_scf_loop = algorithmic_operation_t(START_SCF_LOOP, 'Starting SCF loop')

Definition at line 172 of file propagator.F90.

op_end_scf_loop

type(algorithmic_operation_t), parameter, public propagator_oct_m::op_end_scf_loop = algorithmic_operation_t(END_SCF_LOOP, 'End of SCF iteration')

Definition at line 172 of file propagator.F90.

op_store_current_status

type(algorithmic_operation_t), parameter, public propagator_oct_m::op_store_current_status = algorithmic_operation_t(STORE_CURRENT_STATUS, 'Store current status')

Definition at line 172 of file propagator.F90.