Abstract_Box_Particles_Swap Derived Type

type, public, abstract, extends(Abstract_Generating_Algorithm) :: Abstract_Box_Particles_Swap

Inherited By

Components

Type	Visibility	Attributes		Name		Initial
type(Environment_Wrapper),	private,	pointer	::	environment	=>	null()
type(Mixture_Wrapper),	private,	pointer	::	mixture	=>	null()
type(Short_Interactions_Wrapper),	private,	pointer	::	short_interactions	=>	null()
type(Dipolar_Interactions_Dynamic_Wrapper),	private,	pointer	::	dipolar_interactions_dynamic(:)	=>	null()
type(Dipolar_Interactions_Static_Wrapper),	private,	pointer	::	dipolar_interactions_static(:)	=>	null()
type(Changes_Wrapper),	private,	pointer	::	changes	=>	null()
logical,	private,	allocatable	::	can_swap(:,:)
class(Abstract_Hetero_Couples),	private,	allocatable	::	couples(:)
class(Abstract_Tower_Sampler),	private,	allocatable	::	selectors(:)			[i, j] <-> k: convert

Type-Bound Procedures

procedure, public :: construct => Abstract_construct

private subroutine Abstract_construct(this, environment, mixture, short_interactions, dipolar_interactions_dynamic, dipolar_interactions_static, changes, can_swap, couples, selectors)

Arguments

Type	Intent	Optional	Attributes		Name
class(Abstract_Box_Particles_Swap),	intent(out)			::	this
type(Environment_Wrapper),	intent(in),		target	::	environment
type(Mixture_Wrapper),	intent(in),		target	::	mixture
type(Short_Interactions_Wrapper),	intent(in),		target	::	short_interactions
type(Dipolar_Interactions_Dynamic_Wrapper),	intent(in),		target	::	dipolar_interactions_dynamic(:)
type(Dipolar_Interactions_Static_Wrapper),	intent(in),		target	::	dipolar_interactions_static(:)
type(Changes_Wrapper),	intent(in),		target	::	changes
logical,	intent(in)			::	can_swap(:,:)
class(Abstract_Hetero_Couples),	intent(in)			::	couples(:)
class(Abstract_Tower_Sampler),	intent(in)			::	selectors(:)

procedure, public :: destroy => Abstract_destroy

private subroutine Abstract_destroy(this)

Arguments

Type Intent Optional Attributes Name

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

procedure, public :: reset_selectors => Abstract_reset_selectors

private subroutine Abstract_reset_selectors(this)

Arguments

Type Intent Optional Attributes Name

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

procedure, public :: get_num_choices => Abstract_get_num_choices

private pure function Abstract_get_num_choices(this) result(num_choices)

Arguments

Type Intent Optional Attributes Name

class(Abstract_Box_Particles_Swap), intent(in) :: this

Return Value integer

procedure, public :: try => Abstract_try

private subroutine Abstract_try(this, observables)

Arguments

Type	Intent	Optional	Attributes		Name
class(Abstract_Box_Particles_Swap),	intent(in)			::	this
type(Generating_Observables_Wrapper),	intent(inout)			::	observables

procedure, private :: metropolis_algorithm => Abstract_metropolis_algorithm

private subroutine Abstract_metropolis_algorithm(this, success, deltas, i_box, ij_components)

Arguments

Type	Intent	Optional	Attributes		Name
class(Abstract_Box_Particles_Swap),	intent(in)			::	this
logical,	intent(out)			::	success
type(Concrete_Double_Energies),	intent(inout)			::	deltas
integer,	intent(in)			::	i_box
integer,	intent(in)			::	ij_components(:)

procedure(Abstract_define_swap), private, deferred :: define_swap

subroutine Abstract_define_swap(this, abort, particles, i_box, ij_components) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(Abstract_Box_Particles_Swap),	intent(in)			::	this
logical,	intent(out)			::	abort
type(Concrete_Particle),	intent(out)			::	particles(:)
integer,	intent(in)			::	i_box
integer,	intent(in)			::	ij_components(:)

procedure(Abstract_acceptation_probability), private, deferred :: acceptation_probability

pure function Abstract_acceptation_probability(this, i_box, ij_components, delta_energy) result(probability) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(Abstract_Box_Particles_Swap),	intent(in)			::	this
integer,	intent(in)			::	i_box
integer,	intent(in)			::	ij_components(:)
real(kind=DP),	intent(in)			::	delta_energy

Return Value real(kind=DP)

procedure(Abstract_visit_walls), private, deferred :: visit_walls

subroutine Abstract_visit_walls(this, overlap, delta_energies, i_box, ij_components, particles) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(Abstract_Box_Particles_Swap),	intent(in)			::	this
logical,	intent(out)			::	overlap
real(kind=DP),	intent(out)			::	delta_energies(:)
integer,	intent(in)			::	i_box
integer,	intent(in)			::	ij_components(:)
type(Concrete_Particle),	intent(in)			::	particles(:)

procedure(Abstract_visit_short), private, deferred :: visit_short

subroutine Abstract_visit_short(this, overlap, delta_energies, i_box, ij_components, particles) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(Abstract_Box_Particles_Swap),	intent(in)			::	this
logical,	intent(out)			::	overlap
real(kind=DP),	intent(out)			::	delta_energies(:,:)
integer,	intent(in)			::	i_box
integer,	intent(in)			::	ij_components(:)
type(Concrete_Particle),	intent(in)			::	particles(:)

procedure(Abstract_visit_field), private, deferred :: visit_field

pure subroutine Abstract_visit_field(this, delta_energies, i_box, particles) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(Abstract_Box_Particles_Swap),	intent(in)			::	this
real(kind=DP),	intent(out)			::	delta_energies(:)
integer,	intent(in)			::	i_box
type(Concrete_Particle),	intent(in)			::	particles(:)

procedure(Abstract_visit_dipolar), private, deferred :: visit_dipolar

pure subroutine Abstract_visit_dipolar(this, delta_energies, delta_shared_energy, i_box, ij_components, particles) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(Abstract_Box_Particles_Swap),	intent(in)			::	this
real(kind=DP),	intent(out)			::	delta_energies(:,:)
real(kind=DP),	intent(out)			::	delta_shared_energy
integer,	intent(in)			::	i_box
integer,	intent(in)			::	ij_components(:)
type(Concrete_Particle),	intent(in)			::	particles(:)

procedure(Abstract_update_components), private, deferred :: update_components

subroutine Abstract_update_components(this, i_box, ij_components, particles) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(Abstract_Box_Particles_Swap),	intent(in)			::	this
integer,	intent(in)			::	i_box
integer,	intent(in)			::	ij_components(:)
type(Concrete_Particle),	intent(in)			::	particles(:)

procedure(Abstract_increment_hit), private, deferred, nopass :: increment_hit

subroutine Abstract_increment_hit(changes, ij_components) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
type(Concrete_Observables_Changes),	intent(inout)			::	changes
integer,	intent(in)			::	ij_components(:)

procedure(Abstract_increment_success), private, deferred, nopass :: increment_success

subroutine Abstract_increment_success(changes, ij_components) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
type(Concrete_Observables_Changes),	intent(inout)			::	changes
integer,	intent(in)			::	ij_components(:)

All Derived Types

Abstract_Average_Num_Particles Abstract_Beta_Pressure Abstract_Beta_Pressure_Excess Abstract_Box_Particle_Exchange Abstract_Box_Particle_Move Abstract_Box_Particles_Swap Abstract_Box_Size_Checker Abstract_Box_Size_Memento Abstract_Changed_Box_Size Abstract_Changed_Box_Size_Ratio Abstract_Changes_Success_Writer Abstract_Complete_Coordinates_Reader Abstract_Complete_Coordinates_Writer Abstract_Component_Chemical_Potential Abstract_Component_Coordinates Abstract_Component_Coordinates_Reader Abstract_Component_Coordinates_Writer Abstract_Component_Dipole_Moments Abstract_Coordinates Abstract_Coordinates_Copier Abstract_Density_Explorer Abstract_DES_Convergence_Parameter Abstract_DES_Real_Component Abstract_DES_Real_Pair Abstract_DES_Reci_Structure Abstract_DES_Reci_Visitor Abstract_DES_Reci_Weight Abstract_DES_Self_Component Abstract_DES_Surf_Mixture Abstract_Dipolar_Interactions_Facade Abstract_Dipolar_Neighbourhood Abstract_Dipolar_Neighbourhoods_Visitor Abstract_Dirac_Distribution_Plus Abstract_Directed_Graph_Writer Abstract_DLC_Structures Abstract_DLC_Visitor Abstract_DLC_Weight Abstract_Exchanged_Boxes_Size Abstract_External_Field Abstract_Field_Expression Abstract_Floor_Penetration Abstract_Generating_Algorithm Abstract_Hard_Contact Abstract_Hetero_Couples Abstract_Line_Writer Abstract_Maximum_Box_Compression Abstract_Maximum_Box_Compression_Explorer Abstract_Min_Distance Abstract_Mixture_Total_Moment Abstract_Move_Tuner Abstract_Moved_Coordinates Abstract_Neighbour_Cells Abstract_Num_Particles Abstract_Number_to_String Abstract_Pair_Potential Abstract_Parallelepiped_Domain Abstract_Particle_Insertion_Method Abstract_Periodic_Box Abstract_Permittivity Abstract_PLMC_Propagator Abstract_Potential_Expression Abstract_Radial_Explorer Abstract_Random_Coordinates Abstract_Real_Writer Abstract_Reciprocal_Lattice Abstract_Rectangle_Writer Abstract_Short_Pairs_Visitor Abstract_Structure_Factor Abstract_Structure_Visitor Abstract_Temperature Abstract_Tower_Sampler Abstract_Triangle_Writer Abstract_Tunable_Move Abstract_Visitable_Cells Abstract_Visitable_Cells_Memento Abstract_Visitable_List Abstract_Visitable_Walls Abstract_Volume_Change_Method Abstract_Walls_Visitor Box_Particle_Add Box_Particle_Remove Box_Particle_Rotation Box_Particle_Translation Box_Particles_Switch Box_Particles_Transmutation Box_Volume_Change Boxed_Parallelepiped_Domain Boxes_Particle_Teleportation Boxes_Particles_Swap Boxes_Volume_Exchange Cells_Wrapper Centered_Block_Penetration Centered_Plates_Expression Changes_Component_Wrapper Changes_Success_Writer_Selector Changes_Success_Writer_Wrapper Changes_Wrapper Component_Coordinates_Reader_Selector Component_Coordinates_Reader_wrapper Component_Coordinates_Writer_Selector Component_Coordinates_Writer_Wrapper Component_Wrapper Concrete_Beta_Pressure Concrete_Change_Counter Concrete_Change_Counter_Line Concrete_Changed_Box_Size Concrete_Changes_Counter Concrete_Changes_Success Concrete_Changes_Success_Writer Concrete_Complete_Coordinates_Reader Concrete_Complete_Coordinates_Writer Concrete_Component_Chemical_Potential Concrete_Component_Coordinates_Reader Concrete_Component_Coordinates_Writer Concrete_Component_Dipole_Moments Concrete_Component_Orientations Concrete_Component_Orientations_Reader Concrete_Component_Positions Concrete_Component_Positions_Reader Concrete_DES_Convergence_Parameter Concrete_DES_Real_Component Concrete_DES_Reci_Structure Concrete_DES_Reci_Visitor Concrete_DES_Reci_Weight Concrete_DES_Self_Component Concrete_Dipolar_Neighbourhood Concrete_Dipolar_Neighbourhoods_Visitor Concrete_DLC_Structures Concrete_DLC_Visitor Concrete_DLC_Weight Concrete_Double_Energies Concrete_Double_Particle Concrete_Energies_Writers Concrete_External_Field Concrete_Line_Writer Concrete_Linkable_Node Concrete_Maximum_Box_Compression_Explorer Concrete_Min_Distance Concrete_Mixture_Total_Moment Concrete_Move_Tuner Concrete_Move_Tuner_Parameters Concrete_Move_Tuning_Parameters Concrete_Node Concrete_Num_Particles Concrete_Number_to_String Concrete_Observables_Changes Concrete_Observables_Energies Concrete_Parallelepiped_Domain Concrete_Particle Concrete_Particle_Insertion_Method Concrete_Permittivity Concrete_PLMC_Propagator Concrete_Potential_Domain Concrete_Potential_Domain_Selector Concrete_Random_Orientation Concrete_Random_Position Concrete_Raw_Coordinates Concrete_Real_Writer Concrete_Reciprocal_Lattice Concrete_Rectangle_Writer Concrete_Rotated_Orientations Concrete_Short_Pairs_Visitor Concrete_Single_Energies Concrete_Temperature Concrete_Tower_Sampler Concrete_Translated_Positions Concrete_Triangle_Writer Concrete_Visitable_Array Concrete_Visitable_Arrays_Memento Concrete_Visitable_Cells Concrete_Visitable_List Concrete_Visitable_Lists_Memento Concrete_Visitable_Walls Concrete_Volume_Change_Method Concrete_Walls_Visitor Constant_Chemical_Potential_Num_Particles Constant_Field_Expression Constant_Num_Particles DES_Real_Component_Wrapper DES_Self_Component_Wrapper Dipolar_Interactions_Dynamic_Wrapper Dipolar_Interactions_Static_Wrapper Dipolar_Neighbourhood_Line Dipolar_Neighbourhood_Wrapper Dot_Directed_Graph_Writer Environment_Wrapper Equipartition_Num_Particles Exchanged_Boxes_Size_Line Exchanged_Boxes_Size_Wrapper Exploring_Box_Size_Checker Exploring_IO_Wrapper Exploring_JSON_Report Exploring_Writers_Wrapper Flat_Floor_Penetration Forgetful_Box_Size_Memento Full_Hetero_Couples Gaussian_Dirac_Distribution_Plus Generating_Algorithm_Wrapper Generating_Box_Size_Checker Generating_IO_Wrapper Generating_JSON_Report Generating_Observables_Wrapper Generating_Writers_Wrapper Half_Hetero_Couples Inter_Radial_Explorer Intra_Radial_Explorer Lennard_Jones_Expression Line_Writer_Wrapper Logical_Line Logical_Rectangle Logical_Triangle Markov_Chain_Explorer_Wrapper Markov_Chain_Generator_Wrapper Min_Distance_Line Min_Distance_Wrapper Mixture_Wrapper Move_Tuner_Line Move_Tuner_Wrapper Neighbour_Cells_Line Neighbour_Cells_Wrapper Null_Average_Num_Particles Null_Beta_Pressure Null_Beta_Pressure_Excess Null_Box_Size_Memento Null_Changed_Box_Size Null_Changed_Box_Size_Ratio Null_Changes_Success_Writer Null_Complete_Coordinates_Writer Null_Component_Chemical_Potential Null_Component_Coordinates Null_Component_Coordinates_Reader Null_Component_Coordinates_Writer Null_Component_Dipole_Moments Null_Coordinates_Copier Null_DES_Convergence_Parameter Null_DES_Real_Component Null_DES_Real_Pair Null_DES_Reci_Structure Null_DES_Reci_Visitor Null_DES_Reci_Weight Null_DES_Self_Component Null_DES_Surf_Mixture Null_Dipolar_Interactions_Facade Null_Dipolar_Neighbourhood Null_Dipolar_Neighbourhoods_Visitor Null_Dirac_Distribution_Plus Null_Directed_Graph_Writer Null_DLC_Structures Null_DLC_Visitor Null_DLC_Weight Null_Exchanged_Boxes_Size Null_External_Field Null_Field_Expression Null_Floor_Penetration Null_Generating_Algorithm Null_Hard_Contact Null_Hetero_Couples Null_Line_Writer Null_Maximum_Box_Compression Null_Maximum_Box_Compression_Explorer Null_Min_Distance Null_Mixture_Total_Moment Null_Move_Tuner Null_Moved_Coordinates Null_Neighbour_Cells Null_Num_Particles Null_Number_to_String Null_Pair_Potential Null_Parallelepiped_Domain Null_Particle_Insertion_Method Null_Permittivity Null_PLMC_Propagator Null_Potential_Expression Null_Random_Coordinates Null_Real_Writer Null_Reciprocal_Lattice Null_Rectangle_Writer Null_Short_Pairs_Visitor Null_Tower_Sampler Null_Triangle_Writer Null_Visitable_Cells Null_Visitable_Cells_Memento Null_Visitable_List Null_Visitable_Walls Null_Volume_Change_Method Null_Walls_Visitor Number_to_String_Line Number_to_String_Wrapper Pair_Potential_Line Pair_Potential_Wrapper Physical_Model_Wrapper Plain_Density_Explorer Random_Filling_Coordinates_Copier Raw_DES_Real_Pair Raw_Pair_Potential Readers_Wrapper Real_Line Rectangle_Writer_Wrapper Rectangular_DES_Surf_Mixture Rectangular_Dirac_Distribution_Plus Retentive_Box_Size_Memento Scalable_Dipolar_Interactions_Facade Short_Interactions_Wrapper Spherical_DES_Surf_Mixture String_Wrapper Tabulated_DES_Real_Pair Tabulated_Pair_Potential Unscalable_Dipolar_Interactions_Facade Walled_Parallelepiped_Domain XY_Beta_Pressure_Excess XY_Changed_Box_Size_Ratio XY_Exchanged_Boxes_Size XY_Hard_Contact XY_Maximum_Box_Compression XY_PBC_Neighbour_Cells XY_Periodic_Box XYZ_Beta_Pressure_Excess XYZ_Changed_Box_Size_Ratio XYZ_Exchanged_Boxes_Size XYZ_Hard_Contact XYZ_Maximum_Box_Compression XYZ_PBC_Neighbour_Cells XYZ_Periodic_Box XZ_Density_Explorer Yukawa_Expression Z_Density_Explorer