Octopus
electrons_oct_m Module Reference

Data Types

interface  electrons_t
 Class describing the electron system. More...
 

Functions/Subroutines

class(electrons_t) function, pointer electrons_constructor (namespace, generate_epot)
 
subroutine electrons_init_interaction (this, interaction)
 
subroutine electrons_init_parallelization (this, grp)
 
subroutine electrons_init_algorithm (this, factory)
 
subroutine electrons_initial_conditions (this)
 
subroutine electrons_propagation_start (this)
 
logical function electrons_do_algorithmic_operation (this, operation, updated_quantities)
 
logical function electrons_is_tolerance_reached (this, tol)
 
subroutine electrons_update_quantity (this, iq)
 
subroutine electrons_init_interaction_as_partner (partner, interaction)
 
subroutine electrons_copy_quantities_to_interaction (partner, interaction)
 
subroutine electrons_output_start (this)
 
subroutine electrons_output_write (this)
 
subroutine electrons_output_finish (this)
 
logical function electrons_process_is_slave (this)
 
subroutine electrons_exec_end_of_timestep_tasks (this, prop)
 
subroutine electrons_restart_write_data (this)
 
logical function electrons_restart_read_data (this)
 
subroutine electrons_update_kinetic_energy (this)
 
subroutine get_fields_from_interaction (this, time)
 
subroutine electrons_finalize (sys)
 

Function/Subroutine Documentation

◆ electrons_constructor()

class(electrons_t) function, pointer electrons_oct_m::electrons_constructor ( type(namespace_t), intent(in)  namespace,
logical, intent(in), optional  generate_epot 
)
private

Definition at line 276 of file electrons.F90.

◆ electrons_init_interaction()

subroutine electrons_oct_m::electrons_init_interaction ( class(electrons_t), intent(inout), target  this,
class(interaction_t), intent(inout)  interaction 
)
private

Definition at line 364 of file electrons.F90.

◆ electrons_init_parallelization()

subroutine electrons_oct_m::electrons_init_parallelization ( class(electrons_t), intent(inout)  this,
type(mpi_grp_t), intent(in)  grp 
)
private

Definition at line 427 of file electrons.F90.

◆ electrons_init_algorithm()

subroutine electrons_oct_m::electrons_init_algorithm ( class(electrons_t), intent(inout)  this,
class(algorithm_factory_t), intent(in)  factory 
)
private

Definition at line 620 of file electrons.F90.

◆ electrons_initial_conditions()

subroutine electrons_oct_m::electrons_initial_conditions ( class(electrons_t), intent(inout)  this)
private

Definition at line 646 of file electrons.F90.

◆ electrons_propagation_start()

subroutine electrons_oct_m::electrons_propagation_start ( class(electrons_t), intent(inout)  this)
private

Definition at line 662 of file electrons.F90.

◆ electrons_do_algorithmic_operation()

logical function electrons_oct_m::electrons_do_algorithmic_operation ( class(electrons_t), intent(inout)  this,
class(algorithmic_operation_t), intent(in)  operation,
integer, dimension(:), intent(out), allocatable  updated_quantities 
)
private

Definition at line 677 of file electrons.F90.

◆ electrons_is_tolerance_reached()

logical function electrons_oct_m::electrons_is_tolerance_reached ( class(electrons_t), intent(in)  this,
real(real64), intent(in)  tol 
)
private

Definition at line 840 of file electrons.F90.

◆ electrons_update_quantity()

subroutine electrons_oct_m::electrons_update_quantity ( class(electrons_t), intent(inout)  this,
integer, intent(in)  iq 
)
private

Definition at line 852 of file electrons.F90.

◆ electrons_init_interaction_as_partner()

subroutine electrons_oct_m::electrons_init_interaction_as_partner ( class(electrons_t), intent(in)  partner,
class(interaction_surrogate_t), intent(inout)  interaction 
)
private

Definition at line 879 of file electrons.F90.

◆ electrons_copy_quantities_to_interaction()

subroutine electrons_oct_m::electrons_copy_quantities_to_interaction ( class(electrons_t), intent(inout)  partner,
class(interaction_surrogate_t), intent(inout)  interaction 
)
private

Definition at line 897 of file electrons.F90.

◆ electrons_output_start()

subroutine electrons_oct_m::electrons_output_start ( class(electrons_t), intent(inout)  this)
private

Definition at line 919 of file electrons.F90.

◆ electrons_output_write()

subroutine electrons_oct_m::electrons_output_write ( class(electrons_t), intent(inout)  this)
private

Definition at line 928 of file electrons.F90.

◆ electrons_output_finish()

subroutine electrons_oct_m::electrons_output_finish ( class(electrons_t), intent(inout)  this)
private

Definition at line 954 of file electrons.F90.

◆ electrons_process_is_slave()

logical function electrons_oct_m::electrons_process_is_slave ( class(electrons_t), intent(in)  this)
private

Definition at line 963 of file electrons.F90.

◆ electrons_exec_end_of_timestep_tasks()

subroutine electrons_oct_m::electrons_exec_end_of_timestep_tasks ( class(electrons_t), intent(inout)  this,
class(propagator_t), intent(in)  prop 
)
private

Definition at line 974 of file electrons.F90.

◆ electrons_restart_write_data()

subroutine electrons_oct_m::electrons_restart_write_data ( class(electrons_t), intent(inout)  this)
private

Definition at line 1081 of file electrons.F90.

◆ electrons_restart_read_data()

logical function electrons_oct_m::electrons_restart_read_data ( class(electrons_t), intent(inout)  this)
private

Definition at line 1110 of file electrons.F90.

◆ electrons_update_kinetic_energy()

subroutine electrons_oct_m::electrons_update_kinetic_energy ( class(electrons_t), intent(inout)  this)
private

Definition at line 1138 of file electrons.F90.

◆ get_fields_from_interaction()

subroutine electrons_oct_m::get_fields_from_interaction ( class(electrons_t), intent(inout)  this,
real(real64), intent(in)  time 
)
private

Definition at line 1154 of file electrons.F90.

◆ electrons_finalize()

subroutine electrons_oct_m::electrons_finalize ( type(electrons_t), intent(inout)  sys)
private

Definition at line 1195 of file electrons.F90.