Class HMCStepRENSSwapParameterInfo

x.__init__(...) initializes x; see help(type(x)) for signature

Parameters:

• sampler1 (subclass instance of AbstractSingleChainMC) - First sampler
• sampler2 (subclass instance of AbstractSingleChainMC) - Second sampler
• timestep (float) - integration timestep
• hmc_traj_length (int) - HMC trajectory length
• hmc_iterations (int) - number of HMC iterations in the propagation step
• gradient (callable) - gradient governing the equations of motion, function of position array and switching protocol
• intermediate_steps (int) - number of steps in the protocol; this is a discrete version of the switching time in "continuous" RENS implementations
• protocol (callable) - Switching protocol determining the time dependence of the switching parameter. It is a function f taking the running time t and the switching time tau to yield a value in [0, 1] with f(0, tau) = 0 and f(tau, tau) = 1
• mass_matrix (InvertibleMatrix) - mass matrix for kinetic energy definition
• integrator (l{AbstractIntegrator}) - Integration scheme to be utilized

Overrides: object.__init__

(inherited documentation)

gradient

Gradient which governs the equations of motion.

Get Method:

unreachable.gradient(self) - Gradient which governs the equations of motion.

Set Method:

unreachable.gradient(self, value)

hmc_iterations

Get Method:

unreachable.hmc_iterations(self)

Set Method:

unreachable.hmc_iterations(self, value)

hmc_traj_length

HMC trajectory length in number of integration steps.

Get Method:

unreachable.hmc_traj_length(self) - HMC trajectory length in number of integration steps.

Set Method:

unreachable.hmc_traj_length(self, value)

integrator

Get Method:

unreachable.integrator(self)

Set Method:

unreachable.integrator(self, value)

intermediate_steps

Get Method:

unreachable.intermediate_steps(self)

Set Method:

unreachable.intermediate_steps(self, value)

mass_matrix

Get Method:

unreachable.mass_matrix(self)

Set Method:

unreachable.mass_matrix(self, value)

timestep

Integration timestep.

Get Method:

unreachable.timestep(self) - Integration timestep.

Set Method:

unreachable.timestep(self, value)