propagator.F90 File Reference

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Modules
module	propagator_oct_m
	This module implements the basic propagator framework.

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

Functions/Subroutines
logical function	propagator_oct_m::propagator_do_operation (this, operation)
	Try to perform one operation of the algorithm. Return .true. if sucessful. More...
logical function	propagator_oct_m::propagator_finished (this)
	indicate whether a propagation has reached the final time More...
subroutine	propagator_oct_m::propagator_init_iteration_counters (this)
	Initialize the propagator and system clocks. More...
subroutine	propagator_oct_m::propagator_save_scf_start (this)
	Save the current iteration state (START_SCF_LOOP) and move to next step. More...
subroutine	propagator_oct_m::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	propagator_oct_m::start_scf_loop = 'START_SCF_LOOP'
character(len=algo_label_len), parameter, public	propagator_oct_m::end_scf_loop = 'END_SCF_LOOP'
character(len=algo_label_len), parameter, public	propagator_oct_m::store_current_status = 'STORE_CURRENT_STATUS'
type(algorithmic_operation_t), parameter, public	propagator_oct_m::op_start_scf_loop = algorithmic_operation_t(START_SCF_LOOP, 'Starting 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')
type(algorithmic_operation_t), parameter, public	propagator_oct_m::op_store_current_status = algorithmic_operation_t(STORE_CURRENT_STATUS, 'Store current status')