27#include "thermostat.hpp"
This file contains the defaults for ESPResSo.
void brownian_dynamics_rotator(BrownianThermostat const &brownian, Particle &p, double time_step, double kT)
void brownian_dynamics_propagator(BrownianThermostat const &brownian, Particle &p, double time_step, double kT)
This file contains all subroutines required to process rotational motion.
void convert_torque_to_body_frame_apply_fix(Particle &p)
Thermostat for Brownian dynamics.
GammaType gamma
Translational friction coefficient .
GammaType gamma_rotation
Rotational friction coefficient .
Struct holding all information for one particle.
auto const & quat() const
auto const & omega() const
Utils::Vector3d bd_random_walk_vel_rot(BrownianThermostat const &brownian, Particle const &p)
Determine the angular velocities: random walk part.
Utils::Quaternion< double > bd_drag_rot(Thermostat::GammaType const &brownian_gamma_rotation, Particle &p, double dt)
Determine quaternions: viscous drag driven by conservative torques.
Utils::Vector3d bd_random_walk(BrownianThermostat const &brownian, Particle const &p, double dt, double kT)
Determine the positions: random walk part.
Utils::Vector3d bd_drag_vel(Thermostat::GammaType const &brownian_gamma, Particle const &p)
Set the terminal velocity driven by the conservative forces drag.
Utils::Vector3d bd_random_walk_vel(BrownianThermostat const &brownian, Particle const &p)
Determine the velocities: random walk part.
Utils::Quaternion< double > bd_random_walk_rot(BrownianThermostat const &brownian, Particle const &p, double dt, double kT)
Determine the quaternions: random walk part.
Utils::Vector3d bd_drag(Thermostat::GammaType const &brownian_gamma, Particle const &p, double dt)
Determine position: viscous drag driven by conservative forces.
Utils::Vector3d bd_drag_vel_rot(Thermostat::GammaType const &brownian_gamma_rotation, Particle const &p)
Set the terminal angular velocity driven by the conservative torques drag.