See [17] for the Stokesian dynamics method used here. More...

#include "config/config.hpp"
#include "ParticleRange.hpp"
#include "PropagationMode.hpp"
#include "PropagationPredicate.hpp"
#include "thermostat.hpp"
#include <unordered_map>

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Classes
struct	PropagationPredicateStokesian

struct	StokesianDynamicsParameters

Typedefs
using	ParticleRangeStokesian = ParticleRangeFiltered< PropagationPredicateStokesian >

Enumerations
enum class	sd_flags : int { NONE = 0 , SELF_MOBILITY = 1 << 0 , PAIR_MOBILITY = 1 << 1 , LUBRICATION = 1 << 2 , FTS = 1 << 3 }

Functions
void	register_integrator (StokesianDynamicsParameters const &obj)

void	propagate_vel_pos_sd (ParticleRangeStokesian const &particles, StokesianThermostat const &stokesian, double time_step, double kT)
	Takes the forces and torques on all particles and computes their velocities.

Detailed Description

See [17] for the Stokesian dynamics method used here.

See [7] and [8] for the thermalization method.

Definition in file sd_interface.hpp.

Typedef Documentation

◆ ParticleRangeStokesian

using ParticleRangeStokesian = ParticleRangeFiltered<PropagationPredicateStokesian>

Definition at line 50 of file sd_interface.hpp.

Enumeration Type Documentation

◆ sd_flags

enum class sd_flags : int

strong

Enumerator
NONE
SELF_MOBILITY
PAIR_MOBILITY
LUBRICATION
FTS

Definition at line 61 of file sd_interface.hpp.

Function Documentation

◆ propagate_vel_pos_sd()

void propagate_vel_pos_sd	(	ParticleRangeStokesian const &	particles,
		StokesianThermostat const &	stokesian,
		double	time_step,
		double	kT
	)

Takes the forces and torques on all particles and computes their velocities.

Acts globally on particles on all nodes; i.e. particle data is gathered from all nodes and their velocities and angular velocities are set according to the Stokesian Dynamics method.

Definition at line 127 of file sd_interface.cpp.

References comm_cart, StokesianDynamicsParameters::flags, Utils::Mpi::gather_buffer(), params, StokesianDynamicsParameters::radii, BaseThermostat::rng_counter(), BaseThermostat::rng_seed(), Utils::Mpi::scatter_buffer(), sd_update_locally(), ParticleRange::size(), stream, v_sd, and StokesianDynamicsParameters::viscosity.

Referenced by stokesian_dynamics_step_1().

◆ register_integrator()

void register_integrator ( StokesianDynamicsParameters const & obj )

Definition at line 77 of file sd_interface.cpp.

References System::System::box_geo, System::get_system(), params, and stream.

Classes

Typedefs

Enumerations

Functions