Pscf::Rpc Namespace Reference

Real periodic fields, SCFT and PS-FTS (CPU). More...

Classes
class	AmCompressor
	Anderson mixing compressor. More...
class	AmIteratorBasis
	Anderson mixing iterator with imposed space-group symmetry). More...
class	AmIteratorGrid
	Anderson Mixing iterator on grid (no space-group symmetry). More...
class	Analyzer
	Abstract base for periodic output and/or analysis actions. More...
class	AnalyzerFactory
	Factory for subclasses of Analyzer. More...
class	AnalyzerManager
	Manager for a list of Analyzer objects. More...
class	AverageAnalyzer
	Analyze averages and block averages of several real variables. More...
class	AverageListAnalyzer
	Analyze averages and block averages of several real variables. More...
class	BasisFieldState
	FieldState for fields in symmetry-adapted basis format. More...
class	BdMove
	Brownian dynamics Monte-Carlo move. More...
class	BdSimulator
	Brownian dynamics simulator for PS-FTS. More...
class	BdStep
	BdStep is an abstract base class for Brownian dynamics steps. More...
class	BdStepFactory
	Factory for subclasses of BdStep. More...
class	BinaryChiDerivative
	Evaluate the derivative of H with respect to chi. More...
class	BinaryStructureFactor
	Spherically averaged structure factor for a two-monomer system. More...
class	Block
	Block within a linear or branched block polymer. More...
class	CFields
	A container for c fields stored in both basis and r-grid format. More...
class	Compressor
	Base class for iterators that impose incompressibility. More...
class	CompressorFactory
	Factory for subclasses of Compressor. More...
class	ConcentrationDerivative
	Evaluate the derivative of H with respect to chi. More...
class	ConcentrationWriter
	Periodically write c-field snapshots to a trajectory file. More...
class	CubicLengthDerivative
	Evaluate the derivative of H with respect to cubic box length. More...
class	Domain
	Spatial domain for a periodic structure with real fields, on a CPU. More...
class	EinsteinCrystalPerturbation
	Perturbation for Einstein crystal thermodynamic integration. More...
class	EnvironmentFactory
	Factory for subclasses of Environment. More...
class	ExplicitBdStep
	Explicit Euler-Maruyama Brownian dynamics step. More...
class	FieldIo
	File input/output operations and format conversions for fields. More...
class	FilmEnvironment
	Class defining mask & external fields for thin-film systems. More...
class	FilmFieldGenExt
	Field Generator for external fields in thin-film systems. More...
class	FilmFieldGenMask
	Field Generator for thin-film masks. More...
class	ForceBiasMove
	ForceBiasMove attempts a Brownian dynamics move. More...
class	FourthOrderParameter
	FourthOrderParameter is used to detect an order-disorder transition. More...
class	HamiltonianAnalyzer
	Compute averages and output block averages of Hamiltonian components. More...
class	IntraCorrelation
	Intramolecular correlation analyzer. More...
class	Iterator
	Base class for iterative solvers for SCF equations in Rpc. More...
class	IteratorFactory
	Factory for subclasses of Iterator. More...
class	LinearRamp
	Ramp that varies parameters linearly with index. More...
class	LinearSweep
	Sweep in which parameters vary linearly with sweep variable s. More...
class	LMBdStep
	Leimkuhler-Mathews Brownian dynamics time stepper. More...
class	LrAmCompressor
	Linear-response Anderson mixing compressor. More...
class	LrCompressor
	Linear-response Anderson mixing compressor. More...
class	Mask
	A field to which the total density is constrained. More...
class	MaxOrderParameter
	Evaluates maximum squared Fourier amplitude for W_{-} field. More...
class	McMove
	McMove is an abstract base class for Monte Carlo moves. More...
class	McMoveFactory
	Factory for subclasses of McMove. More...
class	McMoveManager
	Manager for a set of McMove objects. More...
class	McSimulator
	Monte Carlo simulator for PS-FTS. More...
class	Mixture
	Solver and descriptor for a mixture of polymers and solvents. More...
class	MixtureModifier
	Parameter modifier for an associated Mixture. More...
class	Perturbation
	Additive perturbation of standard FTS Hamiltonian (base class). More...
class	PerturbationDerivative
	Evaluate derivative of H w/ respect to perturbation parameter lambda. More...
class	PerturbationFactory
	Factory for subclasses of Perturbation. More...
class	Polymer
	Descriptor and solver for one polymer species. More...
class	PredCorrBdStep
	Predictor-corrector Brownian dynamics time stepper. More...
class	Propagator
	MDE solver for one direction of one block. More...
class	Ramp
	Ramp that varies parameters linearly with index. More...
class	RampFactory
	Factory for subclasses of Ramp. More...
class	RampParameter
	Class for storing data about an individual ramp parameter. More...
class	RealMove
	RealMove generates spatially uncorrelated random field changes. More...
class	RGridTrajectoryReader
	Trajectory file reader. More...
class	ScftThermo
	Computes SCFT free energies. More...
class	ShiftMove
	ShiftMove shifts field. More...
struct	SimState
	SimState stores the state used by an FTS simulation. More...
class	Simulator
	Field theoretic simulator (base class). More...
class	SimulatorFactory
	Factory for subclasses of Simulator. More...
class	Solvent
	Solver and descriptor for a solvent species. More...
class	StepLogger
	Periodically write the step index to a log file. More...
class	Sweep
	Solve a sequence of SCFT problems along a line in parameter space. More...
class	SweepFactory
	Default Factory for subclasses of Sweep. More...
class	SweepParameter
	Class for storing data about an individual sweep parameter. More...
class	System
	A complete physical system. More...
class	SystemConstRef
	Const access to a System. More...
class	TrajectoryReader
	Trajectory file reader (base class). More...
class	TrajectoryReaderFactory
	Factory for subclasses of TrajectoryReader. More...
class	TrajectoryWriter
	Evaluate the derivative of H with respect to chi. More...
class	Types
	Aliases for types used in the Rpc program-level namespace. More...
class	WFields
	A container of fields stored in both basis and r-grid format. More...

Functions
template<int D>
void	run (int argc, char **argv)
	Function template for main pscf_rpc program.

Detailed Description

Real periodic fields, SCFT and PS-FTS (CPU).

All field theoretic simulation (FTS) methods implemented in this namespace rely on a partial saddle point approximation, which allows the use of real chemical potential fields.

Source code files in this namespace may use "using namespace" declarations that allow use of names from namespaces Util, Pscf::Prdc, and Pscf::Prdc::Cpu without explicit namespace qualifier prefixes. Names from namespace Pscf::Rp may also be used, but only with an explicit Rp:: namespace qualifier.