24#ifdef STOKESIAN_DYNAMICS
28#include "thermostat.hpp"
32 double time_step,
double kT) {
35 for (
auto &p : particles) {
37 p.pos() += p.v() * time_step;
39 auto const norm = p.omega().norm();
41 auto const omega_unit = (1. / norm) * p.omega();
This file contains the defaults for ESPResSo.
This file contains all subroutines required to process rotational motion.
void local_rotate_particle(Particle &p, const Utils::Vector3d &axis_space_frame, const double phi)
Rotate the particle p around the NORMALIZED axis aSpaceFrame by amount phi.
void propagate_vel_pos_sd(ParticleRangeStokesian const &particles, StokesianThermostat const &stokesian, double const time_step, double const kT)
Takes the forces and torques on all particles and computes their velocities.
See for the Stokesian dynamics method used here.
void stokesian_dynamics_step_1(ParticleRangeStokesian const &particles, StokesianThermostat const &stokesian, double time_step, double kT)
Thermostat for Stokesian dynamics.