1 #ifndef SimTK_SIMBODY_FORCE_THERMOSTAT_H_
2 #define SimTK_SIMBODY_FORCE_THERMOSTAT_H_
138 Real boltzmannsConstant,
139 Real bathTemperature,
141 int numExcludedDofs = 6);
155 Thermostat& setDefaultNumChains(
int numChains);
169 Thermostat& setDefaultNumExcludedDofs(
int numExcludedDofs);
174 int getDefaultNumChains()
const;
178 Real getDefaultBathTemperature()
const;
181 Real getDefaultRelaxationTime()
const;
186 int getDefaultNumExcludedDofs()
const;
190 Real getBoltzmannsConstant()
const;
211 const Thermostat& setNumExcludedDofs(
State&,
int numExcludedDofs)
const;
216 int getNumChains(
const State&)
const;
221 Real getBathTemperature(
const State&)
const;
224 Real getRelaxationTime(
const State&)
const;
229 int getNumExcludedDofs(
const State&)
const;
235 int getNumThermalDofs(
const State&)
const;
240 Real getCurrentTemperature(
const State&)
const;
243 void initializeChainState(
State&)
const;
257 Real calcBathEnergy(
const State& state)
const;
261 Real getExternalPower(
const State& state)
const;
265 Real getExternalWork(
const State& state)
const;
269 void setExternalWork(
State& state,
Real work)
const;
274 void initializeSystemToBathTemperature(
State&)
const;
281 void setSystemToTemperature(
State&,
Real T)
const;
292 #endif // SimTK_SIMBODY_FORCE_THERMOSTAT_H_