particle_coupling.cpp File Reference

#include "lb/particle_coupling.hpp"
#include "BoxGeometry.hpp"
#include "LocalBox.hpp"
#include "Particle.hpp"
#include "cell_system/CellStructure.hpp"
#include "communication.hpp"
#include "config/config.hpp"
#include "errorhandling.hpp"
#include "random.hpp"
#include "system/System.hpp"
#include "thermostat.hpp"
#include <utils/Counter.hpp>
#include <utils/Vector.hpp>
#include <boost/mpi.hpp>
#include <caliper/cali.h>
#include <cmath>
#include <cstdint>
#include <initializer_list>
#include <limits>
#include <ranges>
#include <stdexcept>
#include <vector>

Include dependency graph for particle_coupling.cpp:

Go to the source code of this file.

Namespaces
namespace	LB

Functions
static Thermostat::GammaType	lb_handle_particle_anisotropy (Particle const &p, double lb_gamma)
static Utils::Vector3d	lb_drag_force (Particle const &p, double lb_gamma, Utils::Vector3d const &v_fluid)
Utils::Vector3d	lb_drag_force (LB::Solver const &lb, double lb_gamma, Particle const &p, Utils::Vector3d const &shifted_pos)
	Calculate drag force on a single particle.
static bool	in_local_domain (LocalBox const &local_box, Utils::Vector3d const &pos, double halo=0.)
	Check if a position is within the local box + halo.
static bool	in_box (Utils::Vector3d const &pos, Utils::Vector3d const &lower_corner, Utils::Vector3d const &upper_corner)
bool	in_local_halo (LocalBox const &local_box, Utils::Vector3d const &pos, double agrid)
	Check if a position is within the local LB domain plus halo.
static void	positions_in_halo_impl (Utils::Vector3d const &pos_folded, Utils::Vector3d const &halo_lower_corner, Utils::Vector3d const &halo_upper_corner, BoxGeometry const &box_geo, std::vector< Utils::Vector3d > &res)
std::vector< Utils::Vector3d >	positions_in_halo (Utils::Vector3d const &pos, BoxGeometry const &box_geo, LocalBox const &local_box, double agrid)
	Return a vector of positions shifted by +,- box length in each coordinate.
static auto	lees_edwards_vel_shift (Utils::Vector3d const &pos_shifted_by_box_l, Utils::Vector3d const &orig_pos, BoxGeometry const &box_geo)
static void	LB::lb_coupling_sanity_checks (Particle const &p)

Function Documentation

in_box()

static bool in_box ( Utils::Vector3d const &  pos, Utils::Vector3d const &  lower_corner, Utils::Vector3d const &  upper_corner  )

static

Definition at line 102 of file particle_coupling.cpp.

Referenced by LB::ParticleCoupling::kernel(), positions_in_halo(), and positions_in_halo_impl().

in_local_domain()

static bool in_local_domain ( LocalBox const &  local_box, Utils::Vector3d const &  pos, double  halo = 0.  )

static

Check if a position is within the local box + halo.

Parameters

local_box	Local geometry
pos	Position to check
halo	Halo

Returns

True iff the point is inside of the box up to halo.

Definition at line 93 of file particle_coupling.cpp.

References Utils::Vector< T, N >::broadcast(), LocalBox::my_left(), and LocalBox::my_right().

Referenced by in_local_halo().

in_local_halo()

bool in_local_halo	(	LocalBox const &	local_box,
		Utils::Vector3d const &	pos,
		double	agrid
	)

Check if a position is within the local LB domain plus halo.

Returns

True iff the point is inside of the domain.

Definition at line 108 of file particle_coupling.cpp.

References in_local_domain().

lb_drag_force() [1/2]

Utils::Vector3d lb_drag_force	(	LB::Solver const &	lb,
		double	lb_gamma,
		Particle const &	p,
		Utils::Vector3d const &	shifted_pos
	)

Calculate drag force on a single particle.

See section II.C. and eq. 9 in [2].

Parameters

[in]	lb	The coupled fluid
[in]	lb_gamma	The friction coefficient
[in]	p	The coupled particle
[in]	shifted_pos	The particle position in MD units with optional shift

Returns

The viscous coupling force

Definition at line 77 of file particle_coupling.cpp.

References LB::Solver::get_coupling_interpolated_velocity(), and lb_drag_force().

lb_drag_force() [2/2]

static Utils::Vector3d lb_drag_force ( Particle const &  p, double  lb_gamma, Utils::Vector3d const &  v_fluid  )

static

Definition at line 64 of file particle_coupling.cpp.

References Utils::hadamard_product(), lb_handle_particle_anisotropy(), Particle::mu_E(), and Particle::v().

Referenced by LB::ParticleCoupling::kernel(), and lb_drag_force().

lb_handle_particle_anisotropy()

static Thermostat::GammaType lb_handle_particle_anisotropy ( Particle const &  p, double  lb_gamma  )

static

Definition at line 49 of file particle_coupling.cpp.

References Utils::Vector< T, N >::broadcast(), Particle::gamma(), and Thermostat::handle_particle_gamma().

Referenced by LB::ParticleCoupling::get_noise_term(), and lb_drag_force().

lees_edwards_vel_shift()

static auto lees_edwards_vel_shift ( Utils::Vector3d const &  pos_shifted_by_box_l, Utils::Vector3d const &  orig_pos, BoxGeometry const &  box_geo  )

static

Definition at line 177 of file particle_coupling.cpp.

References LEES_EDWARDS, BoxGeometry::lees_edwards_bc(), and BoxGeometry::type().

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

positions_in_halo()

std::vector< Utils::Vector3d > positions_in_halo	(	Utils::Vector3d const &	pos,
		BoxGeometry const &	box_geo,
		LocalBox const &	local_box,
		double	agrid
	)

Return a vector of positions shifted by +,- box length in each coordinate.

Definition at line 157 of file particle_coupling.cpp.

References Utils::Vector< T, N >::broadcast(), BoxGeometry::folded_position(), in_box(), LocalBox::my_left(), LocalBox::my_right(), and positions_in_halo_impl().

Referenced by lb_tracers_add_particle_force_to_fluid().

positions_in_halo_impl()

static void positions_in_halo_impl ( Utils::Vector3d const &  pos_folded, Utils::Vector3d const &  halo_lower_corner, Utils::Vector3d const &  halo_upper_corner, BoxGeometry const &  box_geo, std::vector< Utils::Vector3d > &  res  )

static

Definition at line 114 of file particle_coupling.cpp.

References Utils::hadamard_product(), in_box(), LEES_EDWARDS, BoxGeometry::lees_edwards_bc(), BoxGeometry::length(), Algorithm::periodic_fold(), and BoxGeometry::type().

Referenced by LB::ParticleCoupling::kernel(), and positions_in_halo().