MRMD 0.4.0
Multi Resolution Molecular Dynamics
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mrmd::action::VelocityVerletLangevinThermostat Class Reference

#include <action/VelocityVerletLangevinThermostat.hpp>

Public Member Functions

void set (const real_t &zeta, const real_t &temperature)
 
 VelocityVerletLangevinThermostat (const real_t &zeta, const real_t &temperature)
 
real_t preForceIntegrate (data::Atoms &atoms, const real_t dt)
 
void postForceIntegrate (data::Atoms &atoms, const real_t dt)
 
template<OnePositionPredicate Pred>
real_t preForceIntegrate_apply_if (data::Atoms &atoms, const real_t dt, const Pred &pred)
 

Constructor & Destructor Documentation

◆ VelocityVerletLangevinThermostat()

mrmd::action::VelocityVerletLangevinThermostat::VelocityVerletLangevinThermostat ( const real_t &  zeta,
const real_t &  temperature 
)
inline

Member Function Documentation

◆ postForceIntegrate()

void mrmd::action::VelocityVerletLangevinThermostat::postForceIntegrate ( data::Atoms &  atoms,
const real_t  dt 
)
inline

◆ preForceIntegrate()

real_t mrmd::action::VelocityVerletLangevinThermostat::preForceIntegrate ( data::Atoms &  atoms,
const real_t  dt 
)
inline

◆ preForceIntegrate_apply_if()

template<OnePositionPredicate Pred>
real_t mrmd::action::VelocityVerletLangevinThermostat::preForceIntegrate_apply_if ( data::Atoms &  atoms,
const real_t  dt,
const Pred &  pred 
)

◆ set()

void mrmd::action::VelocityVerletLangevinThermostat::set ( const real_t &  zeta,
const real_t &  temperature 
)
inline

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