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Public Member Functions | Private Attributes | List of all members
protocols::md::Thermostat Class Reference

#include <thermostat.hh>

Public Member Functions

 Thermostat (core::Real const &temperature0, core::Size const ndof)
 
 Thermostat (core::Real const &temperature0, core::Real const &tau, core::Size const ndof)
 
 ~Thermostat ()=default
 
void rescale (core::optimization::Multivec &vel, core::Real const &dt, core::optimization::Multivec const &mass)
 
core::Real get_temperature (core::optimization::Multivec const &vel, core::optimization::Multivec const &mass)
 
core::Size nstep_per_update ()
 

Private Attributes

core::Real temp0_
 
core::Real tau_
 
core::Size nstep_per_update_
 
core::Size ndof_
 

Constructor & Destructor Documentation

protocols::md::Thermostat::Thermostat ( core::Real const &  temperature0,
core::Size const  ndof 
)
inline
protocols::md::Thermostat::Thermostat ( core::Real const &  temperature0,
core::Real const &  tau,
core::Size const  ndof 
)
inline
protocols::md::Thermostat::~Thermostat ( )
default

Member Function Documentation

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

Member Data Documentation

core::Size protocols::md::Thermostat::ndof_
private

Referenced by get_temperature(), and Thermostat().

core::Size protocols::md::Thermostat::nstep_per_update_
private

Referenced by nstep_per_update(), and Thermostat().

core::Real protocols::md::Thermostat::tau_
private

Referenced by rescale(), and Thermostat().

core::Real protocols::md::Thermostat::temp0_
private

Referenced by rescale(), and Thermostat().


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