ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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#include <thermostat.hpp>
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 |
Definition at line 361 of file core/thermostat.hpp.
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inline |
Definition at line 387 of file core/thermostat.hpp.
void Thermostat::Thermostat::lb_coupling_deactivate | ( | ) |
Definition at line 87 of file thermostat.cpp.
References runtimeWarningMsg.
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.
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.
std::shared_ptr<BrownianThermostat> Thermostat::Thermostat::brownian |
Definition at line 368 of file core/thermostat.hpp.
Referenced by ScriptInterface::Thermostat::Brownian::get_member_handle().
std::shared_ptr<DPDThermostat> Thermostat::Thermostat::dpd |
Definition at line 374 of file core/thermostat.hpp.
Referenced by add_non_bonded_pair_force(), and ScriptInterface::Thermostat::DPDThermostat::get_member_handle().
double Thermostat::Thermostat::kT = -1. |
Thermal energy of the simulated heat bath.
Definition at line 364 of file core/thermostat.hpp.
std::shared_ptr<LangevinThermostat> Thermostat::Thermostat::langevin |
Definition at line 367 of file core/thermostat.hpp.
Referenced by ScriptInterface::Thermostat::Langevin::get_member_handle().
std::shared_ptr<LBThermostat> Thermostat::Thermostat::lb |
Definition at line 372 of file core/thermostat.hpp.
Referenced by ScriptInterface::Thermostat::LBThermostat::get_member_handle().
std::shared_ptr<IsotropicNptThermostat> Thermostat::Thermostat::npt_iso |
Definition at line 370 of file core/thermostat.hpp.
Referenced by ScriptInterface::Thermostat::IsotropicNpt::get_member_handle(), and integrator_step_2().
std::shared_ptr<StokesianThermostat> Thermostat::Thermostat::stokesian |
Definition at line 377 of file core/thermostat.hpp.
Referenced by ScriptInterface::Thermostat::Stokesian::get_member_handle().
std::shared_ptr<ThermalizedBondThermostat> Thermostat::Thermostat::thermalized_bond |
Definition at line 379 of file core/thermostat.hpp.
Referenced by ScriptInterface::Thermostat::ThermalizedBond::get_member_handle().
int Thermostat::Thermostat::thermo_switch = THERMO_OFF |
Bitmask of currently active thermostats.
Definition at line 366 of file core/thermostat.hpp.
Referenced by add_non_bonded_pair_force().