RPMDIntegrator Member List

This is the complete list of members for RPMDIntegrator, including all inherited members.

cleanup()	RPMDIntegrator	protectedvirtual
computeKineticEnergy()	RPMDIntegrator	protectedvirtual
context	Integrator	protected
getApplyThermostat() const	RPMDIntegrator	inline
getConstraintTolerance() const	Integrator	inline
getContractions() const	RPMDIntegrator	inline
getFriction() const	RPMDIntegrator	inline
getKernelNames()	RPMDIntegrator	protectedvirtual
getNumCopies() const	RPMDIntegrator	inline
getRandomNumberSeed() const	RPMDIntegrator	inline
getState(int copy, int types, bool enforcePeriodicBox=false, int groups=0xFFFFFFFF)	RPMDIntegrator
getStepSize() const	Integrator	inline
getTemperature() const	RPMDIntegrator	inline
getTotalEnergy()	RPMDIntegrator
initialize(ContextImpl &context)	RPMDIntegrator	protectedvirtual
Integrator()	Integrator
owner	Integrator	protected
RPMDIntegrator(int numCopies, double temperature, double frictionCoeff, double stepSize)	RPMDIntegrator
RPMDIntegrator(int numCopies, double temperature, double frictionCoeff, double stepSize, const std::map< int, int > &contractions)	RPMDIntegrator
setApplyThermostat(bool apply)	RPMDIntegrator	inline
setConstraintTolerance(double tol)	Integrator	inline
setFriction(double coeff)	RPMDIntegrator	inline
setPositions(int copy, const std::vector< Vec3 > &positions)	RPMDIntegrator
setRandomNumberSeed(int seed)	RPMDIntegrator	inline
setStepSize(double size)	Integrator	inline
setTemperature(double temp)	RPMDIntegrator	inline
setVelocities(int copy, const std::vector< Vec3 > &velocities)	RPMDIntegrator
stateChanged(State::DataType changed)	RPMDIntegrator	protectedvirtual
step(int steps)	RPMDIntegrator	virtual
~Integrator()	Integrator	virtual