#include <Solver.hpp>

Inheritance diagram for LB::Solver:

Collaboration diagram for LB::Solver:

Classes
struct	Conversions

struct	Implementation

Public Member Functions
	Solver ()

bool	is_solver_set () const
	Return true if a LB solver is active.

void	reset ()
	Remove the LB solver.

template<typename LB , class... Args>
void	set (Args... args)
	Set the LB solver.

template<class Connector >
void	connect (Connector &&connector) const
	Connector to the implementation internal state.

void	propagate ()
	Propagate the LB fluid.

void	ghost_communication ()
	Perform a full ghost communication.

void	ghost_communication_pdf ()
	Perform a ghost communication of the PDF field.

void	ghost_communication_vel ()
	Perform a ghost communication of the velocity field.

void	init () const
	Perform a full initialization of the lattice-Boltzmann system.

void	sanity_checks () const
	Perform LB parameter and boundary velocity checks.

void	veto_time_step (double time_step) const
	Check if a MD time step is compatible with the LB tau.

void	veto_kT (double kT) const
	Check if a thermostat is compatible with the LB temperature.

void	lebc_sanity_checks (unsigned int shear_direction, unsigned int shear_plane_normal) const
	Perform LB LEbc parameter checks.

bool	is_gpu () const

double	get_tau () const
	Get the LB time step.

double	get_agrid () const
	Get the LB grid spacing.

double	get_kT () const
	Get the thermal energy parameter of the LB fluid.

auto	get_lattice_speed () const
	Get the lattice speed (agrid/tau).

Utils::VectorXd< 9 >	get_pressure_tensor () const

Utils::Vector3d	get_momentum () const

std::function< bool(Utils::Vector3d const &)>	make_lattice_position_checker (bool consider_points_in_halo) const
	Make a functor to check if a position is in the local domain.

std::optional< Utils::Vector3d >	get_interpolated_velocity (Utils::Vector3d const &pos) const
	Calculate the interpolated fluid velocity in LB units.

std::optional< double >	get_interpolated_density (Utils::Vector3d const &pos) const
	Calculate the interpolated fluid density in LB units.

std::vector< double >	get_interpolated_densities (std::vector< Utils::Vector3d > const &pos) const
	Calculate the interpolated fluid densities in LB units.

Utils::Vector3d	get_coupling_interpolated_velocity (Utils::Vector3d const &pos) const
	Calculate the interpolated fluid velocity in MD units.

std::vector< Utils::Vector3d >	get_coupling_interpolated_velocities (std::vector< Utils::Vector3d > const &pos) const
	Calculate the interpolated fluid velocities in MD units.

void	add_forces_at_pos (std::vector< Utils::Vector3d > const &pos, std::vector< Utils::Vector3d > const &forces)

void	add_force_density (Utils::Vector3d const &pos, Utils::Vector3d const &force_density)
	Add a force density to the fluid at the given position.

void	on_boxl_change ()

void	on_node_grid_change ()

void	on_cell_structure_change ()

void	on_timestep_change ()

void	on_temperature_change ()

void	on_lees_edwards_change ()

void	update_collision_model ()

void	veto_boxl_change () const

template<>
void	set (std::shared_ptr< LBNone > lb_instance)

template<>
void	set (std::shared_ptr< LBWalberlaBase > lb_fluid, std::shared_ptr< LBWalberlaParams > lb_params)

Public Member Functions inherited from System::Leaf< Solver >
void	bind_system (std::shared_ptr< System > const &system)

void	detach_system (std::shared_ptr< System > const &system)

Additional Inherited Members
Protected Member Functions inherited from System::Leaf< Solver >
auto &	get_system ()

auto &	get_system () const

Protected Attributes inherited from System::Leaf< Solver >
std::weak_ptr< System >	m_system

Detailed Description

Definition at line 37 of file lb/Solver.hpp.

Constructor & Destructor Documentation

◆ Solver()

LB::Solver::Solver ( )

Definition at line 53 of file lb/Solver.cpp.

Member Function Documentation

◆ add_force_density()

void LB::Solver::add_force_density	(	Utils::Vector3d const &	pos,
		Utils::Vector3d const &	force_density
	)

Add a force density to the fluid at the given position.

Parameters

pos	Position at which the force density is to be applied.
force_density	Force density to apply.

Definition at line 299 of file lb/Solver.cpp.

References LB::Solver::Conversions::force_to_lb, and LB::Solver::Conversions::pos_to_lb.

Referenced by lb_tracers_add_particle_force_to_fluid().

◆ add_forces_at_pos()

void LB::Solver::add_forces_at_pos	(	std::vector< Utils::Vector3d > const &	pos,
		std::vector< Utils::Vector3d > const &	forces
	)

Definition at line 280 of file lb/Solver.cpp.

References LB::Solver::Conversions::force_to_lb, and LB::Solver::Conversions::pos_to_lb.

Referenced by LB::ParticleCoupling::kernel().

◆ connect()

template<class Connector >

void LB::Solver::connect ( Connector && connector ) const

inline

Connector to the implementation internal state.

For developers: use this mechanism to access the underlying variant.

Definition at line 63 of file lb/Solver.hpp.

Referenced by EK::EKWalberla::propagate().

◆ get_agrid()

double LB::Solver::get_agrid ( ) const

Get the LB grid spacing.

Definition at line 176 of file lb/Solver.cpp.

References LB::check_solver().

Referenced by get_lattice_speed(), LB::ParticleCoupling::kernel(), lb_tracers_add_particle_force_to_fluid(), Observables::SanityChecksLB::mismatch(), and Observables::SanityChecksLB::SanityChecksLB().

◆ get_coupling_interpolated_velocities()

std::vector< Utils::Vector3d > LB::Solver::get_coupling_interpolated_velocities ( std::vector< Utils::Vector3d > const & pos ) const

Calculate the interpolated fluid velocities in MD units.

Special method used only for particle coupling. Uses the LB ghost layer. Achieved by linear interpolation (eq. 11 in [2]).

Parameters

pos	Positions in MD units at which the velocities are calculated.

Return values

interpolated fluid velocities in MD units.

Definition at line 262 of file lb/Solver.cpp.

References LB::Solver::Conversions::pos_to_lb, and LB::Solver::Conversions::vel_to_md.

Referenced by LB::ParticleCoupling::kernel().

◆ get_coupling_interpolated_velocity()

Utils::Vector3d LB::Solver::get_coupling_interpolated_velocity ( Utils::Vector3d const & pos ) const

Calculate the interpolated fluid velocity in MD units.

Special method used only for particle coupling. Uses the LB ghost layer. Achieved by linear interpolation (eq. 11 in [2]).

Parameters

pos	Position in MD units at which the velocity is calculated.

Return values

interpolated fluid velocity in MD units.

Definition at line 252 of file lb/Solver.cpp.

References LB::Solver::Conversions::pos_to_lb, and LB::Solver::Conversions::vel_to_md.

Referenced by lb_drag_force(), and lb_tracers_propagate().

◆ get_interpolated_densities()

std::vector< double > LB::Solver::get_interpolated_densities ( std::vector< Utils::Vector3d > const & pos ) const

Calculate the interpolated fluid densities in LB units.

The LB ghost layer is used. Achieved by linear interpolation (eq. 11 in [2]).

Parameters

pos	Positions in MD units at which the velocities are calculated.

Return values

interpolated fluid densities in LB units.

Definition at line 235 of file lb/Solver.cpp.

References System::System::box_geo, System::get_system(), and LB::Solver::Conversions::pos_to_lb.

◆ get_interpolated_density()

std::optional< double > LB::Solver::get_interpolated_density ( Utils::Vector3d const & pos ) const

Calculate the interpolated fluid density in LB units.

Use this function in MPI-parallel code. The LB ghost layer is ignored.

Parameters

pos	Position in MD units at which the density is calculated.

Return values

interpolated fluid density in LB units.

Definition at line 225 of file lb/Solver.cpp.

References System::System::box_geo, System::get_system(), and LB::Solver::Conversions::pos_to_lb.

◆ get_interpolated_velocity()

std::optional< Utils::Vector3d > LB::Solver::get_interpolated_velocity ( Utils::Vector3d const & pos ) const

Calculate the interpolated fluid velocity in LB units.

Use this function in MPI-parallel code. The LB ghost layer is ignored.

Parameters

pos	Position in MD units at which the velocity is calculated.

Return values

interpolated fluid velocity in LB units.

Definition at line 211 of file lb/Solver.cpp.

References System::System::box_geo, System::get_system(), and LB::Solver::Conversions::pos_to_lb.

◆ get_kT()

double LB::Solver::get_kT ( ) const

Get the thermal energy parameter of the LB fluid.

Definition at line 186 of file lb/Solver.cpp.

References LB::check_solver().

Referenced by LB::ParticleCoupling::ParticleCoupling().

◆ get_lattice_speed()

auto LB::Solver::get_lattice_speed ( ) const

inline

Get the lattice speed (agrid/tau).

Definition at line 135 of file lb/Solver.hpp.

References get_agrid(), and get_tau().

Referenced by calc_linear_momentum(), and LB::ParticleCoupling::ParticleCoupling().

◆ get_momentum()

Utils::Vector3d LB::Solver::get_momentum ( ) const

Definition at line 311 of file lb/Solver.cpp.

References LB::check_solver().

Referenced by calc_linear_momentum().

◆ get_pressure_tensor()

Utils::VectorXd< 9 > LB::Solver::get_pressure_tensor ( ) const

Definition at line 191 of file lb/Solver.cpp.

References LB::check_solver().

Referenced by Observables::LBFluidPressureTensor::operator()().

◆ get_tau()

double LB::Solver::get_tau ( ) const

Get the LB time step.

Definition at line 181 of file lb/Solver.cpp.

References LB::check_solver().

Referenced by get_lattice_speed(), and LB::ParticleCoupling::ParticleCoupling().

◆ ghost_communication()

void LB::Solver::ghost_communication ( )

Perform a full ghost communication.

Definition at line 77 of file lb/Solver.cpp.

References LB::check_solver().

◆ ghost_communication_pdf()

void LB::Solver::ghost_communication_pdf ( )

Perform a ghost communication of the PDF field.

Definition at line 82 of file lb/Solver.cpp.

References LB::check_solver().

◆ ghost_communication_vel()

void LB::Solver::ghost_communication_vel ( )

Perform a ghost communication of the velocity field.

Definition at line 87 of file lb/Solver.cpp.

References LB::check_solver().

◆ init()

void LB::Solver::init ( ) const

inline

Perform a full initialization of the lattice-Boltzmann system.

All derived parameters and the fluid are reset to their default values.

Definition at line 92 of file lb/Solver.hpp.

◆ is_gpu()

bool LB::Solver::is_gpu ( ) const

Definition at line 171 of file lb/Solver.cpp.

References LB::check_solver().

◆ is_solver_set()

bool LB::Solver::is_solver_set ( ) const

Return true if a LB solver is active.

Definition at line 65 of file lb/Solver.cpp.

References LB::is_solver_set().

Referenced by calc_linear_momentum(), and lb_sanity_checks().

◆ lebc_sanity_checks()

void LB::Solver::lebc_sanity_checks	(	unsigned int	shear_direction,
		unsigned int	shear_plane_normal
	)		const

Perform LB LEbc parameter checks.

Definition at line 112 of file lb/Solver.cpp.

◆ make_lattice_position_checker()

std::function< bool(Utils::Vector3d const &)> LB::Solver::make_lattice_position_checker ( bool consider_points_in_halo ) const

Make a functor to check if a position is in the local domain.

Definition at line 198 of file lb/Solver.cpp.

References System::System::box_geo, System::get_system(), and LB::Solver::Conversions::pos_to_lb.

◆ on_boxl_change()

void LB::Solver::on_boxl_change ( )

Definition at line 135 of file lb/Solver.cpp.

◆ on_cell_structure_change()

void LB::Solver::on_cell_structure_change ( )

Definition at line 122 of file lb/Solver.cpp.

◆ on_lees_edwards_change()

void LB::Solver::on_lees_edwards_change ( )

Definition at line 159 of file lb/Solver.cpp.

◆ on_node_grid_change()

void LB::Solver::on_node_grid_change ( )

Definition at line 141 of file lb/Solver.cpp.

◆ on_temperature_change()

void LB::Solver::on_temperature_change ( )

Definition at line 153 of file lb/Solver.cpp.

◆ on_timestep_change()

void LB::Solver::on_timestep_change ( )

Definition at line 147 of file lb/Solver.cpp.

◆ propagate()

void LB::Solver::propagate ( )

Propagate the LB fluid.

Definition at line 72 of file lb/Solver.cpp.

References LB::check_solver().

◆ reset()

void LB::Solver::reset ( )

Remove the LB solver.

Definition at line 67 of file lb/Solver.cpp.

References System::get_system(), and System::System::lb.

Referenced by ScriptInterface::walberla::LBFluid::do_call_method().

◆ sanity_checks()

void LB::Solver::sanity_checks ( ) const

Perform LB parameter and boundary velocity checks.

Definition at line 92 of file lb/Solver.cpp.

References System::Leaf< Solver >::get_system().

◆ set() [1/3]

template<typename LB , class... Args>

void LB::Solver::set ( Args... args )

Set the LB solver.

For developers: a specialization must exist for every new LB type.

Referenced by ScriptInterface::walberla::LBFluid::do_call_method().

◆ set() [2/3]

template<>

void LB::Solver::set ( std::shared_ptr< LBNone > lb_instance )

Definition at line 317 of file lb/Solver.cpp.

◆ set() [3/3]

template<>

void LB::Solver::set	(	std::shared_ptr< LBWalberlaBase >	lb_fluid,
		std::shared_ptr< LBWalberlaParams >	lb_params
	)

Definition at line 325 of file lb/Solver.cpp.

References System::Leaf< Solver >::get_system().

◆ update_collision_model()

void LB::Solver::update_collision_model ( )

Definition at line 165 of file lb/Solver.cpp.

◆ veto_boxl_change()

void LB::Solver::veto_boxl_change ( ) const

Definition at line 129 of file lb/Solver.cpp.

◆ veto_kT()

void LB::Solver::veto_kT ( double kT ) const

Check if a thermostat is compatible with the LB temperature.

Definition at line 106 of file lb/Solver.cpp.

◆ veto_time_step()

void LB::Solver::veto_time_step ( double time_step ) const

Check if a MD time step is compatible with the LB tau.

Definition at line 99 of file lb/Solver.cpp.

The documentation for this struct was generated from the following files:

Classes

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ Solver()

Member Function Documentation

◆ add_force_density()

◆ add_forces_at_pos()

◆ connect()

◆ get_agrid()

◆ get_coupling_interpolated_velocities()

◆ get_coupling_interpolated_velocity()

◆ get_interpolated_densities()

◆ get_interpolated_density()

◆ get_interpolated_velocity()

◆ get_kT()

◆ get_lattice_speed()

◆ get_momentum()

◆ get_pressure_tensor()

◆ get_tau()

◆ ghost_communication()

◆ ghost_communication_pdf()

◆ ghost_communication_vel()

◆ init()

◆ is_gpu()

◆ is_solver_set()

◆ lebc_sanity_checks()

◆ make_lattice_position_checker()

◆ on_boxl_change()

◆ on_cell_structure_change()

◆ on_lees_edwards_change()

◆ on_node_grid_change()

◆ on_temperature_change()

◆ on_timestep_change()

◆ propagate()

◆ reset()

◆ sanity_checks()

◆ set() [1/3]

◆ set() [2/3]

◆ set() [3/3]

◆ update_collision_model()

◆ veto_boxl_change()

◆ veto_kT()

◆ veto_time_step()