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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