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Octopus
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This module implements the abstract system type. More...
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_initialize |
| 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_new_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_algorithm_start (this) |
| subroutine, public | system_algorithm_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) |
| add system to list More... | |
| 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 |
| 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:
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 315 of file system.F90.
| subroutine, public system_oct_m::system_reset_iteration_counters | ( | class(system_t), intent(inout) | this, |
| integer, intent(in) | accumulated_iterations | ||
| ) |
Definition at line 441 of file system.F90.
| 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())
| [in,out] | this | system for which interactions are created. |
| [in] | interaction_factory | factory that creates the actual interactions |
| [in] | available_partners | a (hierarchical) list of available partners |
Definition at line 495 of file system.F90.
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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 672 of file system.F90.
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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 709 of file system.F90.
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private |
Definition at line 778 of file system.F90.
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private |
Definition at line 790 of file system.F90.
| subroutine, public system_oct_m::system_restart_write | ( | class(system_t), intent(inout) | this | ) |
Definition at line 802 of file system.F90.
| logical function, public system_oct_m::system_restart_read | ( | class(system_t), intent(inout) | this | ) |
Definition at line 843 of file system.F90.
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Definition at line 888 of file system.F90.
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Definition at line 900 of file system.F90.
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private |
Definition at line 912 of file system.F90.
| subroutine, public system_oct_m::system_new_algorithm | ( | class(system_t), intent(inout) | this, |
| class(algorithm_factory_t), intent(in) | factory | ||
| ) |
Definition at line 924 of file system.F90.
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private |
Definition at line 947 of file system.F90.
| 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 962 of file system.F90.
| subroutine, public system_oct_m::system_algorithm_start | ( | class(system_t), intent(inout) | this | ) |
Definition at line 999 of file system.F90.
| subroutine, public system_oct_m::system_algorithm_finish | ( | class(system_t), intent(inout) | this | ) |
Definition at line 1051 of file system.F90.
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private |
Definition at line 1087 of file system.F90.
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private |
Definition at line 1116 of file system.F90.
| subroutine, public system_oct_m::system_end | ( | class(system_t), intent(inout) | this | ) |
Definition at line 1128 of file system.F90.
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add system to list
Definition at line 1154 of file system.F90.
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Definition at line 1171 of file system.F90.
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Definition at line 1199 of file system.F90.
| 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 1219 of file system.F90.
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private |
Definition at line 1234 of file system.F90.
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Definition at line 1248 of file system.F90.
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Definition at line 1261 of file system.F90.
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private |
Definition at line 1281 of file system.F90.
| 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 1303 of file system.F90.
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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 1330 of file system.F90.
| 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 1355 of file system.F90.
| integer, parameter, public system_oct_m::number_barriers = 1 |
Definition at line 145 of file system.F90.
| integer, parameter, public system_oct_m::barrier_restart = 1 |
Definition at line 145 of file system.F90.