Rosetta Protocols  2014.35
Public Member Functions | Private Attributes | List of all members
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
protocols::md::Thermostat::Thermostat ( Real const &  temperature0,
Real const &  tau,
Size const  ndof 
)
inline
protocols::md::Thermostat::~Thermostat ( )
inline

Member Function Documentation

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

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

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