Thermostat::Thermostat Class Reference

#include <thermostat.hpp>

Inheritance diagram for Thermostat::Thermostat:

Collaboration diagram for Thermostat::Thermostat:

Public Member Functions
void	philox_counter_increment ()
	Increment RNG counters.
void	recalc_prefactors (double time_step)
	Initialize constants of all thermostats.
void	lb_coupling_activate ()
void	lb_coupling_deactivate ()
Public Member Functions inherited from System::Leaf< Thermostat >
void	bind_system (std::shared_ptr< System > const &system)
void	detach_system (std::shared_ptr< System > const &system)

Public Attributes
double	kT = -1.
	Thermal energy of the simulated heat bath.
int	thermo_switch = THERMO_OFF
	Bitmask of currently active thermostats.
std::shared_ptr< LangevinThermostat >	langevin
std::shared_ptr< BrownianThermostat >	brownian
std::shared_ptr< IsotropicNptThermostat >	npt_iso
std::shared_ptr< LBThermostat >	lb
std::shared_ptr< DPDThermostat >	dpd
std::shared_ptr< StokesianThermostat >	stokesian
std::shared_ptr< ThermalizedBondThermostat >	thermalized_bond

Additional Inherited Members
Protected Member Functions inherited from System::Leaf< Thermostat >
auto &	get_system ()
auto &	get_system () const
Protected Attributes inherited from System::Leaf< Thermostat >
std::weak_ptr< System >	m_system

Detailed Description

Definition at line 357 of file core/thermostat.hpp.

Member Function Documentation

lb_coupling_activate()

void Thermostat::Thermostat::lb_coupling_activate ( )

inline

Definition at line 383 of file core/thermostat.hpp.

lb_coupling_deactivate()

void Thermostat::Thermostat::lb_coupling_deactivate

(

)

Definition at line 87 of file thermostat.cpp.

References runtimeWarningMsg.

philox_counter_increment()

void Thermostat::Thermostat::philox_counter_increment

(

)

Increment RNG counters.

Definition at line 60 of file thermostat.cpp.

References THERMO_BOND, THERMO_BROWNIAN, THERMO_DPD, THERMO_LANGEVIN, THERMO_NPT_ISO, and THERMO_SD.

recalc_prefactors()

void Thermostat::Thermostat::recalc_prefactors

(

double

time_step

)

Initialize constants of all thermostats.

Definition at line 38 of file thermostat.cpp.

References dpd_init(), nptiso, and NptIsoParameters::piston.

Member Data Documentation

brownian

std::shared_ptr<BrownianThermostat> Thermostat::Thermostat::brownian

Definition at line 364 of file core/thermostat.hpp.

Referenced by ScriptInterface::Thermostat::Brownian::get_member_handle().

dpd

std::shared_ptr<DPDThermostat> Thermostat::Thermostat::dpd

Definition at line 370 of file core/thermostat.hpp.

Referenced by add_non_bonded_pair_force(), and ScriptInterface::Thermostat::DPDThermostat::get_member_handle().

kT

double Thermostat::Thermostat::kT = -1.

Thermal energy of the simulated heat bath.

Definition at line 360 of file core/thermostat.hpp.

langevin

std::shared_ptr<LangevinThermostat> Thermostat::Thermostat::langevin

Definition at line 363 of file core/thermostat.hpp.

Referenced by ScriptInterface::Thermostat::Langevin::get_member_handle().

lb

std::shared_ptr<LBThermostat> Thermostat::Thermostat::lb

Definition at line 368 of file core/thermostat.hpp.

Referenced by ScriptInterface::Thermostat::LBThermostat::get_member_handle().

npt_iso

std::shared_ptr<IsotropicNptThermostat> Thermostat::Thermostat::npt_iso

Definition at line 366 of file core/thermostat.hpp.

Referenced by ScriptInterface::Thermostat::IsotropicNpt::get_member_handle(), and integrator_step_2().

stokesian

std::shared_ptr<StokesianThermostat> Thermostat::Thermostat::stokesian

Definition at line 373 of file core/thermostat.hpp.

Referenced by ScriptInterface::Thermostat::Stokesian::get_member_handle().

thermalized_bond

std::shared_ptr<ThermalizedBondThermostat> Thermostat::Thermostat::thermalized_bond

Definition at line 375 of file core/thermostat.hpp.

Referenced by ScriptInterface::Thermostat::ThermalizedBond::get_member_handle().

thermo_switch

int Thermostat::Thermostat::thermo_switch = THERMO_OFF

Bitmask of currently active thermostats.

Definition at line 362 of file core/thermostat.hpp.

Referenced by add_non_bonded_pair_force().

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

• core/thermostat.hpp
• thermostat.cpp