Octopus
system_oct_m Module Reference

This module implements the abstract system type. More...

Detailed Description

This module implements the abstract system type.

Data Types

type  barrier_t
 
interface  system_do_algorithmic_operation
 Execute one operation that is part of a larger algorithm. Returns true if the operation was successfully executed, false otherwise. More...
 
interface  system_init_interaction
 initialize a given interaction of the system More...
 
interface  system_initial_conditions
 set initial conditions for a system More...
 
interface  system_is_tolerance_reached
 check whether a system has reached a given tolerance More...
 
type  system_iterator_t
 
type  system_list_t
 These classes extends the list and list iterator to create a system list. More...
 
interface  system_restart_read_data
 
interface  system_restart_write_data
 
interface  system_store_current_status
 For some algorithms it might be necessary to store the status of a system at a given algorithmic step. More...
 
type  system_t
 Abstract class for systems. More...
 
interface  system_update_kinetic_energy
 

Functions/Subroutines

subroutine, public system_execute_algorithm (this)
 perform one or more algorithmic operations More...
 
subroutine, public system_reset_iteration_counters (this, accumulated_iterations)
 
recursive subroutine, public system_create_interactions (this, interaction_factory, available_partners)
 create the interactions of the system More...
 
logical function system_update_couplings (this)
 Update the couplings (quantities) of the interaction partners. More...
 
subroutine system_update_interactions (this)
 Attempt to update all interactions of the system. More...
 
subroutine system_update_interactions_start (this)
 
subroutine system_update_interactions_finish (this)
 
subroutine, public system_restart_write (this)
 
logical function, public system_restart_read (this)
 
subroutine system_output_start (this)
 
subroutine system_output_write (this)
 
subroutine system_output_finish (this)
 
subroutine, public system_init_algorithm (this, factory)
 
recursive logical function system_algorithm_finished (this)
 
subroutine, public system_init_iteration_counters (this)
 Initialize the iteration counters of the system and its interactions, algorithms and quantities. More...
 
subroutine, public system_propagation_start (this)
 
subroutine, public system_propagation_finish (this)
 
subroutine system_iteration_info (this)
 
logical function system_process_is_slave (this)
 
subroutine, public system_end (this)
 
subroutine system_list_add_node (this, partner)
 
recursive logical function system_list_contains (this, partner)
 
class(system_t) function, pointer system_iterator_get_next (this)
 
subroutine, public system_init_parallelization (this, grp)
 Basic functionality: copy the MPI group. This function needs to be implemented by extended types that need more initialization for their parallelization. More...
 
subroutine system_start_barrier (this, target_time, barrier_index)
 
subroutine system_end_barrier (this, barrier_index)
 
logical function system_arrived_at_barrier (this, barrier_index)
 
logical function system_arrived_at_any_barrier (this)
 
subroutine, public system_update_potential_energy (this)
 Calculate the potential energy of the system. The potential energy is defined as the sum of all energies arising from interactions with external systems. (Note that multisystems override this function) More...
 
subroutine system_update_internal_energy (this)
 Calculate the internal energy of the system. The internal energy is defined as the sum of all energies arising from intra-interactions and the entropy terms (if available). (Note that multisystems override this function) More...
 
subroutine, public system_update_total_energy (this)
 Calculate the total energy of the system. The total energy is defined as the sum of the kinetic, the internal and the potential energies. More...
 

Variables

integer, parameter, public number_barriers = 1
 
integer, parameter, public barrier_restart = 1
 

Function/Subroutine Documentation

◆ system_execute_algorithm()

subroutine, public system_oct_m::system_execute_algorithm ( class(system_t), intent(inout)  this)

perform one or more algorithmic operations

The following subroutine takes a system and performs as many algorithmic operations as possible on the system until a barrier is reached. There are two types of barriers:

  • explicit barriers, implemented using the barrier_t type
  • the couplings update

The couplings update is always considered a barrier, even if the update was successful. This is to allow other system to also update their couplings with this system before it moves on to the next operations.

Definition at line 330 of file system.F90.

◆ system_reset_iteration_counters()

subroutine, public system_oct_m::system_reset_iteration_counters ( class(system_t), intent(inout)  this,
integer, intent(in)  accumulated_iterations 
)

Definition at line 448 of file system.F90.

◆ system_create_interactions()

recursive subroutine, public system_oct_m::system_create_interactions ( class(system_t), intent(inout)  this,
class(interactions_factory_abst_t), intent(in)  interaction_factory,
class(partner_list_t), intent(in), target  available_partners 
)

create the interactions of the system

Given a list of available partners, this routine creates all the supported interactions between the system and the partners. To do so, it uses an interaction factory. It also initializes all the interactions (calling system_t::init_interaction() and interaction_partner_t::init_interaction_as_partner())

Note
This routine also creates the ghost interactions between the system and all available partners. Any class overriding this method must make sure ghost interactions are properly created or the framework might not work correctly.
Parameters
[in,out]thissystem for which interactions are created.
[in]interaction_factoryfactory that creates the actual interactions
[in]available_partnersa list of available partners for the given system.

Definition at line 501 of file system.F90.

◆ system_update_couplings()

logical function system_oct_m::system_update_couplings ( class(system_t), intent(inout)  this)
private

Update the couplings (quantities) of the interaction partners.

This function loops over all interactions and the corresponding interaction partners and attempts to update their couplings to the requested iteration. It returns true if all couplings have been successfully updated.

Definition at line 652 of file system.F90.

◆ system_update_interactions()

subroutine system_oct_m::system_update_interactions ( class(system_t), intent(inout)  this)
private

Attempt to update all interactions of the system.

First we try to update the systems own quantities required for the interaction, and then try to update the interaction itself.

Definition at line 689 of file system.F90.

◆ system_update_interactions_start()

subroutine system_oct_m::system_update_interactions_start ( class(system_t), intent(inout)  this)
private

Definition at line 762 of file system.F90.

◆ system_update_interactions_finish()

subroutine system_oct_m::system_update_interactions_finish ( class(system_t), intent(inout)  this)
private

Definition at line 774 of file system.F90.

◆ system_restart_write()

subroutine, public system_oct_m::system_restart_write ( class(system_t), intent(inout)  this)

Definition at line 786 of file system.F90.

◆ system_restart_read()

logical function, public system_oct_m::system_restart_read ( class(system_t), intent(inout)  this)

Definition at line 825 of file system.F90.

◆ system_output_start()

subroutine system_oct_m::system_output_start ( class(system_t), intent(inout)  this)
private

Definition at line 869 of file system.F90.

◆ system_output_write()

subroutine system_oct_m::system_output_write ( class(system_t), intent(inout)  this)
private

Definition at line 881 of file system.F90.

◆ system_output_finish()

subroutine system_oct_m::system_output_finish ( class(system_t), intent(inout)  this)
private

Definition at line 893 of file system.F90.

◆ system_init_algorithm()

subroutine, public system_oct_m::system_init_algorithm ( class(system_t), intent(inout)  this,
class(algorithm_factory_t), intent(in)  factory 
)

Definition at line 905 of file system.F90.

◆ system_algorithm_finished()

recursive logical function system_oct_m::system_algorithm_finished ( class(system_t), intent(in)  this)
private

Definition at line 928 of file system.F90.

◆ system_init_iteration_counters()

subroutine, public system_oct_m::system_init_iteration_counters ( class(system_t), intent(inout)  this)

Initialize the iteration counters of the system and its interactions, algorithms and quantities.

Note that th iteration counters for interactions, and on-demand quantities are initialized to one iteration before the algorithm iteration counter. This is necessary, as the interactions and on-demand quantities first need to be updated.

Definition at line 943 of file system.F90.

◆ system_propagation_start()

subroutine, public system_oct_m::system_propagation_start ( class(system_t), intent(inout)  this)

Definition at line 976 of file system.F90.

◆ system_propagation_finish()

subroutine, public system_oct_m::system_propagation_finish ( class(system_t), intent(inout)  this)

Definition at line 1030 of file system.F90.

◆ system_iteration_info()

subroutine system_oct_m::system_iteration_info ( class(system_t), intent(in)  this)
private

Definition at line 1063 of file system.F90.

◆ system_process_is_slave()

logical function system_oct_m::system_process_is_slave ( class(system_t), intent(in)  this)
private

Definition at line 1092 of file system.F90.

◆ system_end()

subroutine, public system_oct_m::system_end ( class(system_t), intent(inout)  this)

Definition at line 1104 of file system.F90.

◆ system_list_add_node()

subroutine system_oct_m::system_list_add_node ( class(system_list_t this,
class(interaction_partner_t), target  partner 
)
private

Definition at line 1129 of file system.F90.

◆ system_list_contains()

recursive logical function system_oct_m::system_list_contains ( class(system_list_t this,
class(interaction_partner_t), target  partner 
)
private

Definition at line 1146 of file system.F90.

◆ system_iterator_get_next()

class(system_t) function, pointer system_oct_m::system_iterator_get_next ( class(system_iterator_t), intent(inout)  this)
private

Definition at line 1174 of file system.F90.

◆ system_init_parallelization()

subroutine, public system_oct_m::system_init_parallelization ( class(system_t), intent(inout)  this,
type(mpi_grp_t), intent(in)  grp 
)

Basic functionality: copy the MPI group. This function needs to be implemented by extended types that need more initialization for their parallelization.

Definition at line 1194 of file system.F90.

◆ system_start_barrier()

subroutine system_oct_m::system_start_barrier ( class(system_t), intent(inout)  this,
real(real64), intent(in)  target_time,
integer, intent(in)  barrier_index 
)
private

Definition at line 1209 of file system.F90.

◆ system_end_barrier()

subroutine system_oct_m::system_end_barrier ( class(system_t), intent(inout)  this,
integer, intent(in)  barrier_index 
)
private

Definition at line 1223 of file system.F90.

◆ system_arrived_at_barrier()

logical function system_oct_m::system_arrived_at_barrier ( class(system_t), intent(inout)  this,
integer, intent(in)  barrier_index 
)
private

Definition at line 1236 of file system.F90.

◆ system_arrived_at_any_barrier()

logical function system_oct_m::system_arrived_at_any_barrier ( class(system_t), intent(inout)  this)
private

Definition at line 1256 of file system.F90.

◆ system_update_potential_energy()

subroutine, public system_oct_m::system_update_potential_energy ( class(system_t), intent(inout)  this)

Calculate the potential energy of the system. The potential energy is defined as the sum of all energies arising from interactions with external systems. (Note that multisystems override this function)

Definition at line 1278 of file system.F90.

◆ system_update_internal_energy()

subroutine system_oct_m::system_update_internal_energy ( class(system_t), intent(inout)  this)
private

Calculate the internal energy of the system. The internal energy is defined as the sum of all energies arising from intra-interactions and the entropy terms (if available). (Note that multisystems override this function)

Definition at line 1305 of file system.F90.

◆ system_update_total_energy()

subroutine, public system_oct_m::system_update_total_energy ( class(system_t), intent(inout)  this)

Calculate the total energy of the system. The total energy is defined as the sum of the kinetic, the internal and the potential energies.

External energy as the sum over interaction energies

Self energy arises from the interaction with itself

Definition at line 1330 of file system.F90.

Variable Documentation

◆ number_barriers

integer, parameter, public system_oct_m::number_barriers = 1

Definition at line 165 of file system.F90.

◆ barrier_restart

integer, parameter, public system_oct_m::barrier_restart = 1

Definition at line 165 of file system.F90.