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}

Detailed Description

Configuration extracted from Parameters for Dynamics.

Definition at line 24 of file Dynamics.h.

Member Function Documentation

◆ fromParams()

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

inlinestatic

Definition at line 38 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};
  }