Octopus
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')