29#include "thermostat.hpp"
42 double time_step,
double kT) {
45#ifdef THERMOSTAT_PER_PARTICLE
46 auto const gamma = handle_particle_gamma(p.
gamma(), langevin.
gamma);
47 auto const pref_friction = -gamma;
54 auto const friction_op = handle_particle_anisotropy(p, pref_friction);
55 auto const noise_op = handle_particle_anisotropy(p, pref_noise);
56 return friction_op * p.
v() +
57 noise_op * Random::noise_uniform<RNGSalt::LANGEVIN>(
74#ifdef THERMOSTAT_PER_PARTICLE
77 auto const pref_friction = gamma;
84 auto const noise = Random::noise_uniform<RNGSalt::LANGEVIN_ROT>(
86 return -hadamard_product(pref_friction, p.
omega()) +
87 hadamard_product(pref_noise, noise);
Vector implementation and trait types for boost qvm interoperability.
This file contains the defaults for ESPResSo.
Utils::Vector3d friction_thermo_langevin(LangevinThermostat const &langevin, Particle const &p, double time_step, double kT)
Langevin thermostat for particle translational velocities.
Utils::Vector3d friction_thermo_langevin_rotation(LangevinThermostat const &langevin, Particle const &p, double time_step, double kT)
Langevin thermostat for particle angular velocities.
Matrix implementation and trait types for boost qvm interoperability.
Random number generation using Philox.
This file contains all subroutines required to process rotational motion.
uint64_t rng_counter() const
Get current value of the RNG.
uint32_t rng_seed() const
Thermostat for Langevin dynamics.
GammaType pref_friction
Prefactor for the friction.
static GammaType sigma(double kT, double time_step, GammaType const &gamma)
Calculate the noise prefactor.
GammaType gamma_rotation
Rotational friction coefficient .
GammaType gamma
Translational friction coefficient .
GammaType pref_noise
Prefactor for the translational velocity noise.
GammaType pref_noise_rotation
Prefactor for the angular velocity noise.
Struct holding all information for one particle.
auto const & gamma() const
auto const & gamma_rot() const
auto const & omega() const