eonc::DynamicsConfig Struct Reference

Configuration extracted from Parameters for Dynamics. More...

#include <Dynamics.h>

Static Public Member Functions
static DynamicsConfig	fromParams (const Parameters &p)

Public Attributes
double	time_step {0.0}
long	steps {0}
std::string	thermostat_kind {"none"}
double	andersen_alpha {1.0}
double	andersen_tcol {0.0}
double	nose_mass {1.0}
double	langevin_friction {0.0}
double	kB {8.6173324e-5}
double	timeUnit {10.1805055}
double	temperature {300.0}
bool	write_movies {false}
long	write_movies_interval {1}
long	path_beads {8}
std::string	path_springs {"trotter"}
double	path_eco_omega_max {0.0}
std::string	path_gle_file
double	path_pile_tau {0.0}
double	path_pile_scale {1.0}
std::uint64_t	path_seed {1}

Detailed Description

Configuration extracted from Parameters for Dynamics.

Definition at line 26 of file Dynamics.h.

Member Function Documentation

fromParams()

DynamicsConfig eonc::DynamicsConfig::fromParams ( const Parameters & p )

inlinestatic

Definition at line 47 of file Dynamics.h.

                                                        {
    return {p.dynamics_options().time_step,
            p.dynamics_options().steps,
            p.thermostat_options().kind,
            p.thermostat_options().andersen_alpha,
            p.thermostat_options().andersen_tcol,
            p.thermostat_options().nose_mass,
            p.thermostat_options().langevin_friction,
            p.constants().kB,
            p.constants().timeUnit,
            p.main_options().temperature,
            p.debug_options().write_movies,
            p.debug_options().write_movies_interval,
            p.thermostat_options().path_beads,
            p.thermostat_options().path_springs,
            p.thermostat_options().path_eco_omega_max,
            p.thermostat_options().path_gle_file,
            p.thermostat_options().path_pile_tau,
            p.thermostat_options().path_pile_scale,
            p.thermostat_options().path_seed};
  }

Member Data Documentation

andersen_alpha

double eonc::DynamicsConfig::andersen_alpha {1.0}

Definition at line 30 of file Dynamics.h.

{1.0};

andersen_tcol

double eonc::DynamicsConfig::andersen_tcol {0.0}

Definition at line 31 of file Dynamics.h.

{0.0};

kB

double eonc::DynamicsConfig::kB {8.6173324e-5}

Definition at line 34 of file Dynamics.h.

{8.6173324e-5};

langevin_friction

double eonc::DynamicsConfig::langevin_friction {0.0}

Definition at line 33 of file Dynamics.h.

{0.0};

nose_mass

double eonc::DynamicsConfig::nose_mass {1.0}

Definition at line 32 of file Dynamics.h.

{1.0};

path_beads

long eonc::DynamicsConfig::path_beads {8}

Definition at line 39 of file Dynamics.h.

{8};

path_eco_omega_max

double eonc::DynamicsConfig::path_eco_omega_max {0.0}

Definition at line 41 of file Dynamics.h.

{0.0};

path_gle_file

std::string eonc::DynamicsConfig::path_gle_file

Definition at line 42 of file Dynamics.h.

path_pile_scale

double eonc::DynamicsConfig::path_pile_scale {1.0}

Definition at line 44 of file Dynamics.h.

{1.0};

path_pile_tau

double eonc::DynamicsConfig::path_pile_tau {0.0}

Definition at line 43 of file Dynamics.h.

{0.0};

path_seed

std::uint64_t eonc::DynamicsConfig::path_seed {1}

Definition at line 45 of file Dynamics.h.

{1};

path_springs

std::string eonc::DynamicsConfig::path_springs {"trotter"}

Definition at line 40 of file Dynamics.h.

{"trotter"};

steps

long eonc::DynamicsConfig::steps {0}

Definition at line 28 of file Dynamics.h.

{0};

temperature

double eonc::DynamicsConfig::temperature {300.0}

Definition at line 36 of file Dynamics.h.

{300.0};

thermostat_kind

std::string eonc::DynamicsConfig::thermostat_kind {"none"}

Definition at line 29 of file Dynamics.h.

{"none"};

time_step

double eonc::DynamicsConfig::time_step {0.0}

Definition at line 27 of file Dynamics.h.

{0.0};

timeUnit

double eonc::DynamicsConfig::timeUnit {10.1805055}

Definition at line 35 of file Dynamics.h.

{10.1805055};

write_movies

bool eonc::DynamicsConfig::write_movies {false}

Definition at line 37 of file Dynamics.h.

{false};

write_movies_interval

long eonc::DynamicsConfig::write_movies_interval {1}

Definition at line 38 of file Dynamics.h.

{1};

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The documentation for this struct was generated from the following file:

• /home/runner/work/eOn/eOn/include/eon/Dynamics.h