ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
Loading...
Searching...
No Matches
sd_interface.hpp File Reference

See [16] 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>
+ Include dependency graph for sd_interface.hpp:
+ This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

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 [16] for the Stokesian dynamics method used here.

See [6] and [7] for the thermalization method.

Definition in file sd_interface.hpp.

Typedef Documentation

◆ ParticleRangeStokesian

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(), 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(), and params.