OHMMS Namespace Reference

Classes
class	AllParticleStepper
	AllParticleStepper Generates the Monte-Carlo candidate particle configuration change, by moving all particles with a small displacement. More...
class	AlwaysAcceptor
	AlwaysAcceptor Provides an accept member which accepts any particle configuration change R_1 -> R_2 that is proposed. More...
class	CanonicalAcceptor
	CanonicalAcceptor Provides an accept member which accepts proposed particle configuration changes R_1 -> R_2 in a way to satisfy the canonical ensemble conditions in the Wang-Landau method. More...
class	FreeEnergyAcceptorBase
	FreeEnergyAcceptorBase Provides an accept member which accepts proposed particle configuration changes according to some rule provided by the children classes, which implement this member. More...
class	FreeEnergyMC
	FreeEnergyMC Carries out a Monte Carlo simulation. Currently focused on Wang-Landau Monte-Carlo. More...
class	MCUpdate
	MCUpdate Performs the Monte-Carlo update -- provides a newState member function which attempts MC update moves until one is accepted, then returns true. More...
class	MicroCanonicalAcceptor
	StepAcceptorBase Provides an accept member which accepts proposed particle configuration changes R_1 -> R_2 in a way to satisfy the canonical ensemble conditions in the Wang-Landau method. More...
class	ParticleSet
	Specialized paritlce class for simulations with interatomic potentials. More...
class	Projector
	Projector Projector defines a ``reaction coordinate'' and defines the value of the reaction coordinate for a given particle configuration. More...
class	SingleParticleStepper
	SingleParticleStepper Generates the candidate particle configuration changes by displacing a single atom by a small random displacement. More...
class	StepAcceptorBase
	StepAcceptorBase Framework for deciding whether or not to accept particle configuration changes. More...
class	StepperBase
	StepperBase Base class for generating candidate particle configuration changes. More...

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