classes_box_particles_swap.f90 Source File

This File Depends On

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types_cells_wrapper.f90 sourcefile~types_cells_wrapper.f90->sourcefile~types_short_interactions_wrapper.f90 sourcefile~types_cells_wrapper.f90->sourcefile~procedures_transmutation_visitors.f90 sourcefile~types_cells_wrapper.f90->sourcefile~procedures_transmutation_updaters.f90 sourcefile~classes_dirac_distribution_plus.f90->sourcefile~classes_hard_contact.f90 sourcefile~procedures_dipolar_interactions_micro.f90->sourcefile~classes_dipolar_neighbourhood.f90 sourcefile~procedures_dipolar_interactions_micro.f90->sourcefile~classes_dlc_visitor.f90 sourcefile~procedures_dipolar_interactions_micro.f90->sourcefile~classes_des_reci_visitor.f90 sourcefile~procedures_dipolar_interactions_micro.f90->sourcefile~classes_dlc_structures.f90 sourcefile~procedures_dipolar_interactions_micro.f90->sourcefile~classes_des_real_pair.f90 sourcefile~procedures_dipolar_interactions_micro.f90->sourcefile~classes_des_reci_structure.f90 sourcefile~procedures_visitable_cells_factory.f90->sourcefile~classes_visitable_cells_memento.f90 sourcefile~classes_visitable_cells.f90->sourcefile~classes_visitable_cells_memento.f90 sourcefile~classes_visitable_cells.f90->sourcefile~types_cells_wrapper.f90 sourcefile~classes_visitable_cells.f90->sourcefile~procedures_visitable_cells_factory.f90 sourcefile~types_logical_wrapper.f90 types_logical_wrapper.f90 sourcefile~types_logical_wrapper.f90->sourcefile~classes_visitable_cells_memento.f90 sourcefile~classes_neighbour_cells.f90->sourcefile~classes_visitable_cells_memento.f90 sourcefile~classes_neighbour_cells.f90->sourcefile~types_cells_wrapper.f90 sourcefile~classes_neighbour_cells.f90->sourcefile~procedures_visitable_cells_factory.f90 sourcefile~classes_neighbour_cells.f90->sourcefile~classes_visitable_cells.f90 sourcefile~classes_visitable_list.f90->sourcefile~procedures_visitable_cells_factory.f90 sourcefile~classes_visitable_list.f90->sourcefile~classes_visitable_cells.f90 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sourcefile~classes_des_reci_weight.f90->sourcefile~types_dipolar_interactions_static_wrapper.f90 sourcefile~classes_des_reci_weight.f90->sourcefile~classes_des_reci_visitor.f90 sourcefile~module_changes_success.f90->sourcefile~types_generating_observables_wrapper.f90 sourcefile~module_changes_success.f90->sourcefile~types_observables_changes.f90 sourcefile~classes_external_field.f90->sourcefile~procedures_transmutation_visitors.f90 sourcefile~classes_external_field.f90->sourcefile~procedures_dipoles_field_interaction.f90 sourcefile~classes_external_field.f90->sourcefile~types_environment_wrapper.f90 sourcefile~classes_field_expression.f90->sourcefile~classes_external_field.f90 sourcefile~classes_field_expression.f90->sourcefile~procedures_field_expression_factory.f90 sourcefile~procedures_field_expression_factory.f90->sourcefile~classes_external_field.f90 sourcefile~procedures_field_expression_micro.f90->sourcefile~classes_field_expression.f90 sourcefile~classes_coordinates_copier.f90 classes_coordinates_copier.f90 sourcefile~classes_coordinates_copier.f90->sourcefile~types_changes_wrapper.f90 sourcefile~classes_random_coordinates.f90->sourcefile~types_changes_wrapper.f90 sourcefile~classes_random_coordinates.f90->sourcefile~classes_coordinates_copier.f90 sourcefile~types_changes_component_wrapper.f90 types_changes_component_wrapper.f90 sourcefile~types_changes_component_wrapper.f90->sourcefile~types_changes_wrapper.f90 sourcefile~classes_move_tuner.f90->sourcefile~types_changes_wrapper.f90 sourcefile~classes_move_tuner.f90->sourcefile~types_changes_component_wrapper.f90 sourcefile~classes_moved_coordinates.f90->sourcefile~types_changes_component_wrapper.f90 sourcefile~types_move_tuner_parameters.f90 types_move_tuner_parameters.f90 sourcefile~types_move_tuner_parameters.f90->sourcefile~classes_move_tuner.f90 sourcefile~procedures_reals_factory.f90->sourcefile~procedures_observables_energies_factory.f90 sourcefile~classes_beta_pressure.f90->sourcefile~types_environment_wrapper.f90 sourcefile~classes_temperature.f90->sourcefile~types_environment_wrapper.f90 sourcefile~classes_box_size_checker.f90->sourcefile~types_environment_wrapper.f90
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Files Dependent On This One

sourcefile~~classes_box_particles_swap.f90~~AfferentGraph sourcefile~classes_box_particles_swap.f90 classes_box_particles_swap.f90 sourcefile~procedures_box_particles_swap_factory.f90 procedures_box_particles_swap_factory.f90 sourcefile~classes_box_particles_swap.f90->sourcefile~procedures_box_particles_swap_factory.f90 sourcefile~procedures_generating_algorithms_factory.f90 procedures_generating_algorithms_factory.f90 sourcefile~procedures_box_particles_swap_factory.f90->sourcefile~procedures_generating_algorithms_factory.f90 sourcefile~plmc_generate.f90 plmc_generate.f90 sourcefile~procedures_generating_algorithms_factory.f90->sourcefile~plmc_generate.f90 sourcefile~procedures_markov_chain_generator_factory.f90 procedures_markov_chain_generator_factory.f90 sourcefile~procedures_generating_algorithms_factory.f90->sourcefile~procedures_markov_chain_generator_factory.f90
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Source Code

module classes_box_particles_swap

use, intrinsic :: iso_fortran_env, only: DP => REAL64
use data_constants, only: num_dimensions
use classes_hetero_couples, only: Abstract_Hetero_Couples
use procedures_hetero_couples_factory, only: hetero_couples_destroy => destroy
use procedures_random_number, only: random_integer
use classes_tower_sampler, only: Abstract_Tower_Sampler
use procedures_tower_sampler_factory, only: tower_sampler_destroy => destroy
use types_environment_wrapper, only: Environment_Wrapper
use types_mixture_wrapper, only: Mixture_Wrapper
use types_particle_wrapper, only: Concrete_Particle
use types_short_interactions_wrapper, only: Short_Interactions_Wrapper
use procedures_visit_condition, only: visit_different
use types_dipolar_interactions_dynamic_wrapper, only: Dipolar_Interactions_Dynamic_Wrapper
use types_dipolar_interactions_static_wrapper, only: Dipolar_Interactions_Static_Wrapper
use procedures_dipoles_field_interaction, only: dipoles_field_visit_translation => &
    visit_translation, dipoles_field_visit_add => visit_add, dipoles_field_visit_remove => &
    visit_remove
use types_changes_wrapper, only: Changes_Wrapper
use types_observables_energies, only: Concrete_Double_Energies
use procedures_observables_energies_factory, only: observables_energies_set => set
use types_observables_changes, only: Concrete_Observables_Changes
use types_generating_observables_wrapper, only: Generating_Observables_Wrapper
use classes_generating_algorithm, only: Abstract_Generating_Algorithm
use procedures_selectors_resetters, only: selectors_reset => reset
use procedures_transmutation_visitors, only: visit_short_transmutation => visit_short, &
    visit_dipolar_transmutation => visit_dipolar, i_exclude_particle
use procedures_metropolis_algorithm, only: metropolis_algorithm
use procedures_transmutation_updaters, only: update_transmutation => update

implicit none

private

    type, extends(Abstract_Generating_Algorithm), abstract, public :: Abstract_Box_Particles_Swap
    private
        type(Environment_Wrapper), pointer :: environment => null()
        type(Mixture_Wrapper), pointer :: mixture => null()
        type(Short_Interactions_Wrapper), pointer :: short_interactions => null()
        type(Dipolar_Interactions_Dynamic_Wrapper), pointer :: dipolar_interactions_dynamic(:) => &
            null()
        type(Dipolar_Interactions_Static_Wrapper), pointer :: dipolar_interactions_static(:) => &
            null()
        type(Changes_Wrapper), pointer :: changes => null()
        logical, allocatable :: can_swap(:, :)
        class(Abstract_Hetero_Couples), allocatable :: couples(:)
        class(Abstract_Tower_Sampler), allocatable :: selectors(:) !! [i, j] <-> k: convert
    contains
        procedure :: construct => Abstract_construct
        procedure :: destroy => Abstract_destroy
        procedure :: reset_selectors => Abstract_reset_selectors
        procedure :: get_num_choices => Abstract_get_num_choices
        procedure :: try => Abstract_try
        procedure, private :: metropolis_algorithm => Abstract_metropolis_algorithm
        procedure(Abstract_define_swap), private, deferred :: define_swap
        procedure(Abstract_acceptation_probability), private, deferred :: acceptation_probability
        procedure(Abstract_visit_walls), private, deferred :: visit_walls
        procedure(Abstract_visit_short), private, deferred :: visit_short
        procedure(Abstract_visit_field), private, deferred :: visit_field
        procedure(Abstract_visit_dipolar), private, deferred :: visit_dipolar
        procedure(Abstract_update_components), private, deferred :: update_components
        procedure(Abstract_increment_hit), private, deferred, nopass :: increment_hit
        procedure(Abstract_increment_success), private, deferred, nopass :: increment_success
    end type Abstract_Box_Particles_Swap

    abstract interface

        subroutine Abstract_define_swap(this, abort, particles, i_box, ij_components)
        import :: Concrete_Particle, Abstract_Box_Particles_Swap
            class(Abstract_Box_Particles_Swap), intent(in) :: this
            logical, intent(out) :: abort
            type(Concrete_Particle), intent(out) :: particles(:)
            integer, intent(in) :: i_box, ij_components(:)
        end subroutine Abstract_define_swap

        pure real(DP) function Abstract_acceptation_probability(this, i_box, ij_components, &
            delta_energy) result(probability)
        import :: DP, Abstract_Box_Particles_Swap
            class(Abstract_Box_Particles_Swap), intent(in) :: this
            integer, intent(in) :: i_box, ij_components(:)
            real(DP), intent(in) :: delta_energy
        end function Abstract_acceptation_probability

        subroutine Abstract_visit_walls(this, overlap, delta_energies, i_box, ij_components, &
            particles)
        import :: DP, Concrete_Particle, Abstract_Box_Particles_Swap
            class(Abstract_Box_Particles_Swap), intent(in) :: this
            logical, intent(out) :: overlap
            real(DP), intent(out) :: delta_energies(:)
            integer, intent(in) :: i_box, ij_components(:)
            type(Concrete_Particle), intent(in) :: particles(:)
        end subroutine Abstract_visit_walls

        subroutine Abstract_visit_short(this, overlap, delta_energies, i_box, ij_components, &
            particles)
        import :: DP, Concrete_Particle, Abstract_Box_Particles_Swap
            class(Abstract_Box_Particles_Swap), intent(in) :: this
            logical, intent(out) :: overlap
            real(DP), intent(out) :: delta_energies(:, :)
            integer, intent(in) :: i_box, ij_components(:)
            type(Concrete_Particle), intent(in) :: particles(:)
        end subroutine Abstract_visit_short

        pure subroutine Abstract_visit_field(this, delta_energies, i_box, particles)
        import :: DP, Concrete_Particle, Abstract_Box_Particles_Swap
            class(Abstract_Box_Particles_Swap), intent(in) :: this
            real(DP), intent(out) :: delta_energies(:)
            integer, intent(in) :: i_box
            type(Concrete_Particle), intent(in) :: particles(:)
        end subroutine Abstract_visit_field

        pure subroutine Abstract_visit_dipolar(this, delta_energies, delta_shared_energy, i_box, &
            ij_components, particles)
        import :: DP, Concrete_Particle, Abstract_Box_Particles_Swap
            class(Abstract_Box_Particles_Swap), intent(in) :: this
            real(DP), intent(out) :: delta_energies(:, :)
            real(DP), intent(out) :: delta_shared_energy
            integer, intent(in) :: i_box, ij_components(:)
            type(Concrete_Particle), intent(in) :: particles(:)
        end subroutine Abstract_visit_dipolar

        subroutine Abstract_update_components(this, i_box, ij_components, particles)
        import :: Concrete_Particle, Abstract_Box_Particles_Swap
            class(Abstract_Box_Particles_Swap), intent(in) :: this
            integer, intent(in) :: i_box, ij_components(:)
            type(Concrete_Particle), intent(in) ::  particles(:)
        end subroutine Abstract_update_components

        subroutine Abstract_increment_hit(changes, ij_components)
        import :: Concrete_Observables_Changes
            type(Concrete_Observables_Changes), intent(inout) :: changes
            integer, intent(in) :: ij_components(:)
        end subroutine Abstract_increment_hit

        subroutine Abstract_increment_success(changes, ij_components)
        import :: Concrete_Observables_Changes
            type(Concrete_Observables_Changes), intent(inout) :: changes
            integer, intent(in) :: ij_components(:)
        end subroutine Abstract_increment_success

    end interface

    !> Identities swap
    type, extends(Abstract_Box_Particles_Swap), public :: Box_Particles_Transmutation
    contains
        procedure, private :: define_swap => Transmutation_define_swap
        procedure, private :: acceptation_probability => Transmutation_acceptation_probability
        procedure, private :: visit_walls => Transmutation_visit_walls
        procedure, private :: visit_short => Transmutation_visit_short
        procedure, private :: visit_field => Transmutation_visit_field
        procedure, private :: visit_dipolar => Transmutation_visit_dipolar
        procedure, private :: update_components => Transmutation_update_components
        procedure, private, nopass :: increment_hit => Transmutation_increment_hit
        procedure, private, nopass :: increment_success => Transmutation_increment_success
    end type Box_Particles_Transmutation

    !> Positions swap
    type, extends(Abstract_Box_Particles_Swap), public :: Box_Particles_Switch
    contains
        procedure, private :: define_swap => Switch_define_swap
        procedure, private :: acceptation_probability => Switch_acceptation_probability
        procedure, private :: visit_walls => Switch_visit_walls
        procedure, private :: visit_short => Switch_visit_short
        procedure, private :: visit_field => Switch_visit_field
        procedure, private :: visit_dipolar => Switch_visit_dipolar
        procedure, private :: update_components => Switch_update_components
        procedure, private, nopass :: increment_hit => Switch_increment_hit
        procedure, private, nopass :: increment_success => Switch_increment_success
    end type Box_Particles_Switch

contains

!implementation Abstract_Box_Particles_Swap

    subroutine Abstract_construct(this, environment, mixture, short_interactions, &
        dipolar_interactions_dynamic, dipolar_interactions_static, changes, can_swap, couples, &
        selectors)
        class(Abstract_Box_Particles_Swap), intent(out) :: this
        type(Environment_Wrapper), target, intent(in) :: environment
        type(Mixture_Wrapper), target, intent(in) :: mixture
        type(Short_Interactions_Wrapper), target, intent(in) :: short_interactions
        type(Dipolar_Interactions_Dynamic_Wrapper), target, intent(in) :: &
            dipolar_interactions_dynamic(:)
        type(Dipolar_Interactions_Static_Wrapper), target, intent(in) :: &
            dipolar_interactions_static(:)
        type(Changes_Wrapper), target, intent(in) :: changes
        logical, intent(in) :: can_swap(:, :)
        class(Abstract_Hetero_Couples), intent(in) :: couples(:)
        class(Abstract_Tower_Sampler), intent(in) :: selectors(:)

        this%environment => environment
        this%mixture => mixture
        this%short_interactions => short_interactions
        this%dipolar_interactions_dynamic => dipolar_interactions_dynamic
        this%dipolar_interactions_static => dipolar_interactions_static
        this%changes => changes
        allocate(this%can_swap, source=can_swap)
        allocate(this%couples, source=couples)
        allocate(this%selectors, source=selectors)
    end subroutine Abstract_construct

    subroutine Abstract_destroy(this)
        class(Abstract_Box_Particles_Swap), intent(inout) :: this

        call tower_sampler_destroy(this%selectors)
        call hetero_couples_destroy(this%couples)
        if (allocated(this%can_swap)) deallocate(this%can_swap)
        this%changes => null()
        this%dipolar_interactions_static => null()
        this%dipolar_interactions_dynamic => null()
        this%short_interactions => null()
        this%mixture => null()
        this%environment => null()
    end subroutine Abstract_destroy

    subroutine Abstract_reset_selectors(this)
        class(Abstract_Box_Particles_Swap), intent(inout) :: this

        call selectors_reset(this%selectors, this%couples, this%mixture%average_nums_particles, &
            this%can_swap)
    end subroutine Abstract_reset_selectors

    pure integer function Abstract_get_num_choices(this) result(num_choices)
        class(Abstract_Box_Particles_Swap), intent(in) :: this

        integer :: i_box

        num_choices = 0
        do i_box = 1, size(this%selectors)
            num_choices = num_choices + this%selectors(i_box)%get_num_choices()
        end do
    end function Abstract_get_num_choices

    subroutine Abstract_try(this, observables)
        class(Abstract_Box_Particles_Swap), intent(in) :: this
        type(Generating_Observables_Wrapper), intent(inout) :: observables

        logical :: success
        type(Concrete_Double_Energies) :: deltas
        integer :: i_box, ij_components(2), i_partner

        i_box = random_integer(size(this%environment%periodic_boxes))
        ij_components = this%couples(i_box)%get(this%selectors(i_box)%get())
        call this%increment_hit(observables%changes(i_box), ij_components)
        allocate(deltas%short_energies(size(observables%energies(i_box)%short_energies), 2))
        allocate(deltas%dipolar_energies(size(observables%energies(i_box)%dipolar_energies), 2))

        call this%metropolis_algorithm(success, deltas, i_box, ij_components)

        if (success) then
            do i_partner = 1, size(ij_components)
                observables%nums_particles(ij_components(i_partner), i_box) = this%mixture%&
                    components(ij_components(i_partner), i_box)%num_particles%get()
            end do
            call observables_energies_set(observables%energies(i_box), deltas, ij_components)
            call this%increment_success(observables%changes(i_box), ij_components)
        end if
    end subroutine Abstract_try

    subroutine Abstract_metropolis_algorithm(this, success, deltas, i_box, ij_components)
        class(Abstract_Box_Particles_Swap), intent(in) :: this
        logical, intent(out) :: success
        type(Concrete_Double_Energies), intent(inout) :: deltas
        integer, intent(in) :: i_box, ij_components(:)

        real(DP) :: delta_energy
        type(Concrete_Particle) :: particles(2)
        logical :: abort, overlap

        success = .false.
        call this%define_swap(abort, particles, i_box, ij_components)
        if (abort) return

        call this%visit_walls(overlap, deltas%walls_energies, i_box, ij_components, particles)
        if (overlap) return
        call this%visit_short(overlap, deltas%short_energies, i_box, ij_components, particles)
        if (overlap) return
        call this%visit_field(deltas%field_energies, i_box, particles)
        call this%visit_dipolar(deltas%dipolar_energies, deltas%dipolar_shared_energy, i_box, &
            ij_components, particles)

        delta_energy = sum(deltas%walls_energies + deltas%field_energies) + &
            sum(deltas%short_energies + deltas%dipolar_energies) + deltas%dipolar_shared_energy
        success = metropolis_algorithm(this%acceptation_probability(i_box, ij_components, &
            delta_energy))
        if (success) call this%update_components(i_box, ij_components, particles)
    end subroutine Abstract_metropolis_algorithm

!end implementation Abstract_Box_Particles_Swap

!implementation Box_Particles_Transmutation

    subroutine Transmutation_define_swap(this, abort, particles, i_box, ij_components)
        class(Box_Particles_Transmutation), intent(in) :: this
        logical, intent(out) :: abort
        type(Concrete_Particle), intent(out) :: particles(:)
        integer, intent(in) :: i_box, ij_components(:)

        if (this%mixture%components(ij_components(1), i_box)%num_particles%get() == 0) then
            abort = .true.
            return
        else
            abort = .false.
        end if

        particles(1)%i = random_integer(this%mixture%components(ij_components(1), i_box)%&
            num_particles%get())
        particles(1)%position = this%mixture%components(ij_components(1), i_box)%positions%&
            get(particles(1)%i)
        particles(1)%orientation = this%mixture%components(ij_components(1), i_box)%orientations%&
            get(particles(1)%i)
        particles(1)%dipole_moment = this%mixture%components(ij_components(1), i_box)%&
            dipole_moments%get(particles(1)%i)

        particles(2)%i = this%mixture%components(ij_components(2), i_box)%num_particles%get() + 1
        call this%changes%position_copiers(i_box)%copy(particles(2)%position, &
            particles(1)%position, ij_components)
        call this%changes%orientation_copier%copy(particles(2)%orientation, particles(1)%&
            orientation, ij_components)
        particles(2)%dipole_moment = this%mixture%components(ij_components(2), i_box)%&
            dipole_moments%get_norm() * particles(2)%orientation
    end subroutine Transmutation_define_swap

    !> \[
    !>      P[i \in I \to j \in J] = \min \left( 1, \frac{N_I}{N_J + 1} \frac{\rho_J}{\rho_I}
    !>          e^{-\beta \Delta U_{i \to j}} \frac{a_I^{-N_I}}{a_J^{-N_J}} \right)
    !> \]
    pure real(DP) function Transmutation_acceptation_probability(this, i_box, ij_components, &
        delta_energy) result(probability)
        class(Box_Particles_Transmutation), intent(in) :: this
        integer, intent(in) :: i_box, ij_components(:)
        real(DP), intent(in) :: delta_energy

        associate(component_i => this%mixture%components(ij_components(1), i_box), &
            component_j => this%mixture%components(ij_components(2), i_box))

            probability = &
                real(component_i%num_particles%get(), DP) / &
                real(component_j%num_particles%get() + 1, DP) * &
                component_j%chemical_potential%get_density() / &
                component_i%chemical_potential%get_density() * &
                exp(-delta_energy / this%environment%temperature%get()) * &
                component_i%chemical_potential%get_inv_pow_activity() / &
                component_j%chemical_potential%get_inv_pow_activity()
        end associate

        probability = min(1._DP, probability)
    end function Transmutation_acceptation_probability

    subroutine Transmutation_visit_walls(this, overlap, delta_energies, i_box, ij_components, &
        particles)
        class(Box_Particles_Transmutation), intent(in) :: this
        logical, intent(out) :: overlap
        real(DP), intent(out) :: delta_energies(:)
        integer, intent(in) :: i_box, ij_components(:)
        type(Concrete_Particle), intent(in) :: particles(:)

        call visit_short_transmutation(overlap, delta_energies, this%environment%&
            visitable_walls(i_box), this%short_interactions%wall_pairs, ij_components, particles)
    end subroutine Transmutation_visit_walls

    subroutine Transmutation_visit_short(this, overlap, delta_energies, i_box, ij_components, &
        particles)
        class(Box_Particles_Transmutation), intent(in) :: this
        logical, intent(out) :: overlap
        real(DP), intent(out) :: delta_energies(:, :)
        integer, intent(in) :: i_box, ij_components(:)
        type(Concrete_Particle), intent(in) :: particles(:)

        call visit_short_transmutation(overlap, delta_energies, this%short_interactions%&
            cells(i_box), ij_components, particles)
    end subroutine Transmutation_visit_short

    pure subroutine Transmutation_visit_field(this, delta_energies, i_box, particles)
        class(Box_Particles_Transmutation), intent(in) :: this
        real(DP), intent(out) :: delta_energies(:)
        integer, intent(in) :: i_box
        type(Concrete_Particle), intent(in) :: particles(:)

        call visit_dipolar_transmutation(delta_energies, this%environment%external_fields(i_box), &
            particles)
    end subroutine Transmutation_visit_field

    pure subroutine Transmutation_visit_dipolar(this, delta_energies, delta_shared_energy, i_box, &
        ij_components, particles)
        class(Box_Particles_Transmutation), intent(in) :: this
        real(DP), intent(out) :: delta_energies(:, :)
        real(DP), intent(out) :: delta_shared_energy
        integer, intent(in) :: i_box, ij_components(:)
        type(Concrete_Particle), intent(in) :: particles(:)

        call visit_dipolar_transmutation(delta_energies, delta_shared_energy, this%&
            dipolar_interactions_dynamic(i_box), ij_components, particles)
    end subroutine Transmutation_visit_dipolar

    subroutine Transmutation_update_components(this, i_box, ij_components, particles)
        class(Box_Particles_Transmutation), intent(in) :: this
        integer, intent(in) :: i_box, ij_components(:)
        type(Concrete_Particle), intent(in) ::  particles(:)

        call update_transmutation(this%mixture%components(:, i_box), this%mixture%&
            total_moments(i_box), this%short_interactions%cells(i_box), this%&
            dipolar_interactions_static(i_box), ij_components, particles)
    end subroutine Transmutation_update_components

    subroutine Transmutation_increment_hit(changes, ij_components)
        type(Concrete_Observables_Changes), intent(inout) :: changes
        integer, intent(in) :: ij_components(:)

        changes%transmutations_counters(ij_components(1), ij_components(2))%num_hits = changes%&
            transmutations_counters(ij_components(1), ij_components(2))%num_hits + 1
    end subroutine Transmutation_increment_hit

    subroutine Transmutation_increment_success(changes, ij_components)
        type(Concrete_Observables_Changes), intent(inout) :: changes
        integer, intent(in) :: ij_components(:)

        changes%transmutations_counters(ij_components(1), ij_components(2))%num_successes = &
            changes%transmutations_counters(ij_components(1), ij_components(2))%num_successes + 1
    end subroutine Transmutation_increment_success

!end implementation Box_Particles_Transmutation

!implementation Box_Particles_Switch

    !> @note The change is partially defined because the priority was to share the same interface
    !> with Box_Particles_Transmutation, cf. visit_...() methods for completion.
    subroutine Switch_define_swap(this, abort, particles, i_box, ij_components)
        class(Box_Particles_Switch), intent(in) :: this
        logical, intent(out) :: abort
        type(Concrete_Particle), intent(out) :: particles(:)
        integer, intent(in) :: i_box, ij_components(:)

        integer :: i_partner

        if (this%mixture%components(ij_components(1), i_box)%num_particles%get() == 0 .or. &
            this%mixture%components(ij_components(2), i_box)%num_particles%get() == 0) then
            abort = .true.
            return
        else
            abort = .false.
        end if

        do i_partner = 1, size(particles)
            particles(i_partner)%i = random_integer(this%mixture%&
                components(ij_components(i_partner), i_box)%num_particles%get())
            particles(i_partner)%position = this%mixture%&
                components(ij_components(i_partner), i_box)%positions%get(particles(i_partner)%i)
            particles(i_partner)%orientation = this%mixture%&
                components(ij_components(i_partner), i_box)%orientations%get(particles(i_partner)%i)
            particles(i_partner)%dipole_moment = this%mixture%&
                components(ij_components(i_partner), i_box)%dipole_moments%&
                get(particles(i_partner)%i)
        end do
    end subroutine Switch_define_swap

    pure real(DP) function Switch_acceptation_probability(this, i_box, ij_components, delta_energy)&
        result(probability)
        class(Box_Particles_Switch), intent(in) :: this
        integer, intent(in) :: i_box, ij_components(:)
        real(DP), intent(in) :: delta_energy

        probability = min(1._DP, exp(-delta_energy / this%environment%temperature%get()))
    end function Switch_acceptation_probability

    subroutine Switch_visit_walls(this, overlap, delta_energies, i_box, ij_components, particles)
        class(Box_Particles_Switch), intent(in) :: this
        logical, intent(out) :: overlap
        real(DP), intent(out) :: delta_energies(:)
        integer, intent(in) :: i_box, ij_components(:)
        type(Concrete_Particle), intent(in) :: particles(:)

        real(DP) :: energies_new(size(particles)), energies_old(size(particles))
        integer :: i_partner

        do i_partner = 1, size(particles)
            call this%environment%visitable_walls(i_box)%visit(overlap, energies_new(i_partner), &
                particles(size(particles) + 1 - i_partner)%position, this%short_interactions%&
                wall_pairs(ij_components(i_partner))%potential)
            if (overlap) return
        end do
        do i_partner = 1, size(particles)
            call this%environment%visitable_walls(i_box)%visit(overlap, energies_old(i_partner), &
                particles(i_partner)%position, this%short_interactions%&
                wall_pairs(ij_components(i_partner))%potential)
        end do
        delta_energies = energies_new - energies_old
    end subroutine Switch_visit_walls

    subroutine Switch_visit_short(this, overlap, delta_energies, i_box, ij_components, particles)
        class(Box_Particles_Switch), intent(in) :: this
        logical, intent(out) :: overlap
        real(DP), intent(out) :: delta_energies(:, :)
        integer, intent(in) :: i_box, ij_components(:)
        type(Concrete_Particle), intent(in) :: particles(:)

        real(DP), dimension(size(delta_energies, 1), size(delta_energies, 2)) :: energies_new, &
            energies_old
        type(Concrete_Particle) :: swapped(size(particles))
        integer :: k_component, i_partner

        swapped%i = particles%i
        swapped(1)%position = particles(2)%position
        swapped(2)%position = particles(1)%position

        do i_partner = 1, size(swapped)
            do k_component = 1, size(this%short_interactions%cells(i_box)%visitable_cells, 1)
                call this%short_interactions%cells(i_box)%&
                    visitable_cells(k_component, ij_components(i_partner))%&
                    visit_energy(overlap, energies_new(k_component, i_partner), &
                        swapped(i_partner), visit_different, &
                        i_exclude_particle(k_component, ij_components, swapped))
                if (overlap) return
            end do
        end do
        do i_partner = 1, size(particles)
            do k_component = 1, size(this%short_interactions%cells(i_box)%visitable_cells, 1)
                call this%short_interactions%cells(i_box)%&
                    visitable_cells(k_component, ij_components(i_partner))%&
                    visit_energy(overlap, energies_old(k_component, i_partner), &
                        particles(i_partner), visit_different, &
                        i_exclude_particle(k_component, ij_components, particles))
            end do
        end do
        delta_energies = energies_new - energies_old
    end subroutine Switch_visit_short

    pure subroutine Switch_visit_field(this, delta_energies, i_box, particles)
        class(Box_Particles_Switch), intent(in) :: this
        real(DP), intent(out) :: delta_energies(:)
        integer, intent(in) :: i_box
        type(Concrete_Particle), intent(in) :: particles(:)

        integer :: i_partner

        do i_partner = 1, size(delta_energies)
            delta_energies(i_partner) = dipoles_field_visit_translation(this%environment%&
                external_fields(i_box), particles(size(delta_energies) + 1 - i_partner)%position, &
                particles(i_partner))
        end do
    end subroutine Switch_visit_field

    pure subroutine Switch_visit_dipolar(this, delta_energies, delta_shared_energy, i_box, &
        ij_components, particles)
        class(Box_Particles_Switch), intent(in) :: this
        real(DP), intent(out) :: delta_energies(:, :)
        real(DP), intent(out) :: delta_shared_energy
        integer, intent(in) :: i_box, ij_components(:)
        type(Concrete_Particle), intent(in) :: particles(:)

        real(DP), dimension(size(delta_energies, 1), size(delta_energies, 2)) :: real_energies_new,&
            real_energies_old
        type(Concrete_Particle) :: swapped(size(particles))
        integer :: k_component, i_partner

        swapped%i = particles%i
        swapped(1)%position = particles(2)%position
        swapped(2)%position = particles(1)%position
        do i_partner = 1, size(swapped)
            swapped(i_partner)%dipole_moment = particles(i_partner)%dipole_moment
        end do

        do i_partner = 1, size(swapped)
            do k_component = 1, size(this%dipolar_interactions_dynamic(i_box)%real_components, 1)
                call this%dipolar_interactions_dynamic(i_box)%&
                    real_components(k_component, ij_components(i_partner))%component%&
                    visit(real_energies_new(k_component, i_partner), swapped(i_partner), &
                        visit_different, i_exclude_particle(k_component, ij_components, swapped))
                call this%dipolar_interactions_dynamic(i_box)%&
                    real_components(k_component, ij_components(i_partner))%component%&
                    visit(real_energies_old(k_component, i_partner), particles(i_partner), &
                        visit_different, i_exclude_particle(k_component, ij_components, particles))
            end do
        end do
        delta_energies = real_energies_new - real_energies_old
        delta_shared_energy = &
            this%dipolar_interactions_dynamic(i_box)%reci_visitor%&
                visit_switch(ij_components, particles) - &
            this%dipolar_interactions_dynamic(i_box)%dlc_visitor%visit_switch(ij_components, &
                particles)
    end subroutine Switch_visit_dipolar

    subroutine Switch_update_components(this, i_box, ij_components, particles)
        class(Box_Particles_Switch), intent(in) :: this
        integer, intent(in) :: i_box, ij_components(:)
        type(Concrete_Particle), intent(in) :: particles(:)

        integer :: k_component, i_partner
        real(DP) :: swapped_position(num_dimensions)

        do i_partner = 1, size(particles)
            swapped_position = particles(size(particles) + 1 - i_partner)%position
            call this%mixture%components(ij_components(i_partner), i_box)%positions%&
                set(particles(i_partner)%i, swapped_position)
            do k_component = 1, size(this%short_interactions%cells(i_box)%visitable_cells, 2)
                call this%short_interactions%cells(i_box)%&
                    visitable_cells(ij_components(i_partner), k_component)%&
                    translate(swapped_position, particles(i_partner))
            end do
        end do

        call this%dipolar_interactions_static(i_box)%reci_structure%&
            update_switch(ij_components, particles)
        call this%dipolar_interactions_static(i_box)%dlc_structures%&
            update_switch(ij_components, particles)
    end subroutine Switch_update_components

    subroutine Switch_increment_hit(changes, ij_components)
        type(Concrete_Observables_Changes), intent(inout) :: changes
        integer, intent(in) :: ij_components(:)

        changes%switches_counters(maxval(ij_components))%line(minval(ij_components))%num_hits = &
        changes%switches_counters(maxval(ij_components))%line(minval(ij_components))%num_hits + 1
    end subroutine Switch_increment_hit

    subroutine Switch_increment_success(changes, ij_components)
        type(Concrete_Observables_Changes), intent(inout) :: changes
        integer, intent(in) :: ij_components(:)

        changes%switches_counters(maxval(ij_components))%line(minval(ij_components))%&
            num_successes = &
        changes%switches_counters(maxval(ij_components))%line(minval(ij_components))%&
            num_successes + 1
    end subroutine Switch_increment_success

!end implementation Box_Particles_Switch

end module classes_box_particles_swap

classes_average_num_particles.f90 classes_beta_pressure.f90 classes_beta_pressure_excess.f90 classes_box_particle_exchange.f90 classes_box_particle_move.f90 classes_box_particles_swap.f90 classes_box_size_checker.f90 classes_box_size_memento.f90 classes_box_volume_change.f90 classes_boxes_particle_teleportation.f90 classes_boxes_particles_swap.f90 classes_boxes_volume_exchange.f90 classes_changed_box_size.f90 classes_changed_box_size_ratio.f90 classes_changes_success_writer.f90 classes_complete_coordinates_reader.f90 classes_complete_coordinates_writer.f90 classes_component_chemical_potential.f90 classes_component_coordinates.f90 classes_component_coordinates_reader.f90 classes_component_coordinates_writer.f90 classes_component_dipole_moments.f90 classes_coordinates.f90 classes_coordinates_copier.f90 classes_density_explorer.f90 classes_des_convergence_parameter.f90 classes_des_real_component.f90 classes_des_real_pair.f90 classes_des_reci_structure.f90 classes_des_reci_visitor.f90 classes_des_reci_weight.f90 classes_des_self_component.f90 classes_des_surf_mixture.f90 classes_dipolar_interactions_facade.f90 classes_dipolar_neighbourhood.f90 classes_dipolar_neighbourhoods_visitor.f90 classes_dirac_distribution_plus.f90 classes_directed_graph_writer.f90 classes_dlc_structures.f90 classes_dlc_visitor.f90 classes_dlc_weight.f90 classes_exchanged_boxes_size.f90 classes_external_field.f90 classes_field_expression.f90 classes_floor_penetration.f90 classes_generating_algorithm.f90 classes_hard_contact.f90 classes_hetero_couples.f90 classes_line_writer.f90 classes_maximum_box_compression.f90 classes_maximum_box_compression_explorer.f90 classes_min_distance.f90 classes_mixture_total_moment.f90 classes_move_tuner.f90 classes_moved_coordinates.f90 classes_neighbour_cells.f90 classes_num_particles.f90 classes_number_to_string.f90 classes_pair_potential.f90 classes_parallelepiped_domain.f90 classes_particle_insertion_method.f90 classes_periodic_box.f90 classes_permittivity.f90 classes_plmc_propagator.f90 classes_potential_expression.f90 classes_radial_explorer.f90 classes_random_coordinates.f90 classes_random_orientation.f90 classes_random_position.f90 classes_real_writer.f90 classes_reciprocal_lattice.f90 classes_rectangle_writer.f90 classes_rotated_orientations.f90 classes_short_pairs_visitor.f90 classes_structure_factor.f90 classes_structure_visitor.f90 classes_temperature.f90 classes_tower_sampler.f90 classes_translated_positions.f90 classes_triangle_writer.f90 classes_tunable_move.f90 classes_visitable_cells.f90 classes_visitable_cells_memento.f90 classes_visitable_list.f90 classes_visitable_walls.f90 classes_volume_change_method.f90 classes_walls_visitor.f90 data_cells.f90 data_constants.f90 data_input_prefixes.f90 data_output_objects.f90 data_strings.f90 density.f90 module_changes_success.f90 module_list_node.f90 module_move_tuning.f90 plmc_explore.f90 plmc_generate.f90 procedures_average_nums_particles_factory.f90 procedures_beta_pressure_factory.f90 procedures_beta_pressures_excess_factory.f90 procedures_box_particle_exchange_factory.f90 procedures_box_particle_move_factory.f90 procedures_box_particles_swap_factory.f90 procedures_box_size.f90 procedures_box_size_memento_factory.f90 procedures_box_volume_change_factory.f90 procedures_boxes_particle_teleportation_factory.f90 procedures_boxes_particles_swap_factory.f90 procedures_boxes_size_checker_factory.f90 procedures_boxes_volume_exchange_factory.f90 procedures_cells_memento.f90 procedures_centered_block_micro.f90 procedures_changed_boxes_size_factory.f90 procedures_changed_boxes_size_ratio_factory.f90 procedures_changes_component_factory.f90 procedures_changes_factory.f90 procedures_changes_properties.f90 procedures_changes_success_writer_factory.f90 procedures_checks.f90 procedures_command_arguments.f90 procedures_complete_coordinates_reader.f90 procedures_complete_coordinates_reader_factory.f90 procedures_complete_coordinates_writer_factory.f90 procedures_component_chemical_potential_factory.f90 procedures_component_coordinates_factory.f90 procedures_component_coordinates_reader_factory.f90 procedures_component_coordinates_writer_factory.f90 procedures_component_dipole_moments_factory.f90 procedures_component_factory.f90 procedures_coordinates_copier_factory.f90 procedures_coordinates_micro.f90 procedures_coordinates_reader.f90 procedures_density_explorer_factory.f90 procedures_des_convergence_parameter_factory.f90 procedures_des_real_component_factory.f90 procedures_des_real_pair_factory.f90 procedures_des_reci_structure_factory.f90 procedures_des_reci_visitor_factory.f90 procedures_des_reci_weight_factory.f90 procedures_des_surf_mixture_factory.f90 procedures_dipolar_interactions_facades_factory.f90 procedures_dipolar_interactions_factory.f90 procedures_dipolar_interactions_micro.f90 procedures_dipolar_interactions_resetter.f90 procedures_dipolar_interactions_visitor.f90 procedures_dipolar_neighbourhoods_factory.f90 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procedures_parallelepiped_domain_micro.f90 procedures_parallelepiped_domains_factory.f90 procedures_particle_insertion_method_factory.f90 procedures_periodic_boxes_factory.f90 procedures_permittivity_factory.f90 procedures_physical_model_factory.f90 procedures_plmc_help.f90 procedures_plmc_iterations.f90 procedures_plmc_propagator_factory.f90 procedures_plmc_resetter.f90 procedures_plmc_visitor.f90 procedures_plmc_writer.f90 procedures_potential_expression_factory.f90 procedures_property_inquirers.f90 procedures_radial_explorer_factory.f90 procedures_random_coordinates_factory.f90 procedures_random_number.f90 procedures_random_seed_factory.f90 procedures_readers_factory.f90 procedures_real_writer_factory.f90 procedures_reals_factory.f90 procedures_reciprocal_lattices_factory.f90 procedures_rectangle_writer_factory.f90 procedures_selectors_resetters.f90 procedures_short_interactions_factory.f90 procedures_short_interactions_inquirers.f90 procedures_short_interactions_resetter.f90 procedures_short_interactions_visitor.f90 procedures_short_pairs_visitors_factory.f90 procedures_string_factory.f90 procedures_temperature_factory.f90 procedures_tower_sampler_factory.f90 procedures_transmutation_updaters.f90 procedures_transmutation_visitors.f90 procedures_triangle_observables.f90 procedures_triangle_writer_factory.f90 procedures_visit_condition.f90 procedures_visitable_cells_factory.f90 procedures_visitable_cells_memento_factory.f90 procedures_visitable_list_factory.f90 procedures_visitable_walls_factory.f90 procedures_volume_change_method_factory.f90 procedures_walls_visitors_factory.f90 procedures_writers_inquirers.f90 radial.f90 types_cells_wrapper.f90 types_changes_component_wrapper.f90 types_changes_success_writer_selector.f90 types_changes_wrapper.f90 types_component_coordinates_reader_selector.f90 types_component_coordinates_writer_selector.f90 types_component_wrapper.f90 types_dipolar_interactions_dynamic_wrapper.f90 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