protocols::md::Thermostat Class Reference

#include <thermostat.hh>

Public Member Functions
	Thermostat (Real const &temperature0, Size const ndof)
	Thermostat (Real const &temperature0, Real const &tau, Size const ndof)
	~Thermostat ()
void	rescale (Multivec &vel, Real const &dt, Multivec const &mass)
Real	get_temperature (Multivec const &vel, Multivec const &mass)
Size	nstep_per_update ()

Private Attributes
Real	temp0_
Real	tau_
Size	nstep_per_update_
Size	ndof_

Constructor & Destructor Documentation

protocols::md::Thermostat::Thermostat ( Real const &  temperature0, Size const  ndof  )

inline

References protocols::md::Boltzmann.

protocols::md::Thermostat::Thermostat ( Real const &  temperature0, Real const &  tau, Size const  ndof  )

inline

References protocols::md::Boltzmann.

protocols::md::Thermostat::~Thermostat ( )

inline

Member Function Documentation

Real protocols::md::Thermostat::get_temperature ( Multivec const &  vel, Multivec const &  mass  )

inline

References protocols::md::Boltzmann, and temperature.

Referenced by protocols::md::CartesianMD::do_MD().

Size protocols::md::Thermostat::nstep_per_update ( )

inline

Referenced by protocols::md::CartesianMD::do_MD().

void protocols::md::Thermostat::rescale ( Multivec &  vel, Real const &  dt, Multivec const &  mass  )

inline

References protocols::md::Boltzmann.

Referenced by protocols::md::CartesianMD::do_MD().

Member Data Documentation

Size protocols::md::Thermostat::ndof_

private

Size protocols::md::Thermostat::nstep_per_update_

private

Real protocols::md::Thermostat::tau_

private

Real protocols::md::Thermostat::temp0_

private

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

• src/protocols/md/thermostat.hh