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	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	BFieldComparison
	Comparator for fields in symmetry-adapted basis format. More...
class	BinaryStructureFactorGrid
	BinaryStructureFactorGrid evaluates AB copolymer structure factors. More...
class	Block
	Block within a linear or branched block polymer. More...
class	CFields
	A list of c fields stored in both basis and r-grid format. More...
class	ChiDerivative
	Evaluate the derivative of H with respect to chi. 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 concentration. More...
class	ConcentrationWriter
	Periodically write snapshots to a trajectory file. More...
class	Domain
	Spatial domain for a periodic structure with real fields, on a CPU. More...
class	EinsteinCrystalPerturbation
	Perturbation for Einstein crystal thermodynamic integration method. More...
class	EnvironmentFactory
	Factory for subclasses of Environment. More...
class	ExplicitBdStep
	BdStep is an abstract base class for Brownian dynamics steps. More...
class	FieldIo
	File input/output operations and format conversions for fields. More...
class	FieldState
	Record of a state of a System (fields + unit cell). 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 analysis for LR compressors. More...
class	Iterator
	Base class for iterative solvers for SCF equations. More...
class	IteratorFactory
	Factory for subclasses of Iterator. More...
class	LinearRamp
	Linear ramp - parameters vary linearly with step index. More...
class	LinearSweep
	Sweep in which parameters vary linearly with sweep variable s. More...
class	LMBdStep
	Leimkuhler-Matthews Brownian dynamics stepper. More...
class	LrAmCompressor
	Anderson Mixing compressor with linear-response mixing step. More...
class	LrCompressor
	Linear response compressor. More...
class	Mask
	A field to which the total density is constrained. More...
class	MaxOrderParameter
	MaxOrderParameter is used to detect an order-disorder transition. 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 simulation coordinator. 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
	Base class for additive perturbations of standard FTS Hamiltonian. More...
class	PerturbationDerivative
	Evaluate the 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 stepper. More...
class	Propagator
	MDE solver for one direction of one block. More...
class	Ramp
	Class that varies parameters during a simulation (abstract). 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...
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 snapshots to a trajectory 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
	Main class, representing a complete physical system. More...
class	SystemConstRef
	Const access to a System<D>. More...
class	TrajectoryReader
	Trajectory file reader (base class). More...
class	TrajectoryReaderFactory
	Factory for subclasses of TrajectoryReader. More...
class	TrajectoryWriter
	Periodically write snapshots to a trajectory file. More...
class	Types
	List of aliases for types used the in Rpc namespace. More...
class	WFields
	A container of fields stored in both basis and r-grid format. More...

Functions
template<int D>
std::istream &	operator>> (std::istream &in, RampParameter< D > &param)
	Inserter for reading a RampParameter from an istream.
template<int D>
std::ostream &	operator<< (std::ostream &out, RampParameter< D > const &param)
	Extractor for writing a RampParameter to ostream.
template<int D>
void	run (int argc, char **argv)
	Function template for main pscf_pc program.
template<int D>
std::istream &	operator>> (std::istream &in, SweepParameter< D > &param)
	Inserter for reading a SweepParameter from an istream.
template<int D>
std::ostream &	operator<< (std::ostream &out, SweepParameter< D > const &param)
	Extractor for writing a SweepParameter to ostream.

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 (PSA), which allows the use of real chemical potential fields.

Function Documentation

operator>>() [1/2]

template<int D>

std::istream & Pscf::Rpc::operator>>	(	std::istream &	in,
		RampParameter< D > &	param )

Inserter for reading a RampParameter from an istream.

Parameters

in	input stream
param	RampParameter<D> object to read

Definition at line 280 of file rpc/fts/ramp/RampParameter.tpp.

operator<<() [1/2]

template<int D>

std::ostream & Pscf::Rpc::operator<<	(	std::ostream &	out,
		RampParameter< D > const &	param )

Extractor for writing a RampParameter to ostream.

Parameters

out	output stream
param	RampParameter<D> object to write

Definition at line 303 of file rpc/fts/ramp/RampParameter.tpp.

References Pscf::Rpc::RampParameter< D >::id(), and Pscf::Rpc::RampParameter< D >::writeParamType().

operator>>() [2/2]

template<int D>

std::istream & Pscf::Rpc::operator>>	(	std::istream &	in,
		SweepParameter< D > &	param )

Inserter for reading a SweepParameter from an istream.

Parameters

in	input stream
param	SweepParameter<D> object to read

Definition at line 281 of file rpc/scft/sweep/SweepParameter.tpp.

operator<<() [2/2]

template<int D>

std::ostream & Pscf::Rpc::operator<<	(	std::ostream &	out,
		SweepParameter< D > const &	param )

Extractor for writing a SweepParameter to ostream.

Parameters

out	output stream
param	SweepParameter<D> object to write

Definition at line 301 of file rpc/scft/sweep/SweepParameter.tpp.

References Pscf::Rpc::SweepParameter< D >::id(), and Pscf::Rpc::SweepParameter< D >::writeParamType().