ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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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>
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. | |
See [16] for the Stokesian dynamics method used here.
See [6] and [7] for the thermalization method.
Definition in file sd_interface.hpp.
Definition at line 50 of file sd_interface.hpp.
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strong |
Enumerator | |
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NONE | |
SELF_MOBILITY | |
PAIR_MOBILITY | |
LUBRICATION | |
FTS |
Definition at line 61 of file sd_interface.hpp.
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().
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.