Monte-Carlo simulation coordinator. More...

#include <McSimulator.h>

Inheritance diagram for Pscf::Rpg::McSimulator< D >:

Public Member Functions
	McSimulator (System< D > &system)
	Constructor.

	~McSimulator ()
	Destructor.

virtual void	readParameters (std::istream &in)
	Read parameters for a MC simulation.

Primary Actions: Simulation and Analysis
void	simulate (int nStep)
	Perform a field theoretic Monte-Carlo simulation.

virtual void	analyze (int min, int max, std::string classname, std::string filename)
	Read and analyze a trajectory file.

virtual void	outputTimers (std::ostream &out)
	Output timing results.

virtual void	clearTimers ()
	Clear timers.

bool	needsCc ()
	Return the simulations whether needs to store cc fields.

bool	needsDc ()
	Return the simulations whether needs to store Dc fields.

Miscellaneous
bool	hasMcMoves () const
	Does this McSimulator have any MC moves defined?

McMoveManager< D > &	mcMoveManager ()
	Get McMoveManger.

AnalyzerManager< D > &	analyzerManager ()
	Get AnalyzerManger.

Factory< TrajectoryReader< D > > &	trajectoryReaderFactory ()
	Get the trajectory reader factory by reference.

Public Member Functions inherited from Pscf::Rpg::Simulator< D >
	Simulator (System< D > &system)
	Constructor.

	~Simulator ()
	Destructor.

void	allocate ()
	Allocate required memory.

void	clearData ()
	Clear field eigen-components and hamiltonian components.

virtual void	outputMdeCounter (std::ostream &out)
	Output MDE counter.

long	iStep ()
	Return the current converged simulation step index.

long	iTotalStep ()
	Return the current simulation step index.

void	analyzeChi ()
	Perform eigenvalue analysis of projected chi matrix.

DArray< double > const &	chiEvals () const
	Get an array of the eigenvalues of the projected chi matrix.

double	chiEval (int a) const
	Get a single eigenvalue of the projected chi matrix.

DMatrix< double > const &	chiEvecs () const
	Get the matrix of all eigenvectors of the projected chi matrix.

double	chiEvecs (int a, int i) const
	Get one element of an eigenvector of the projected chi matrix.

DArray< double > const &	sc () const
	Get all components of the vector S.

double	sc (int a) const
	Get a single component of the S vector.

void	computeHamiltonian ()
	Compute the Hamiltonian used in field theoretic simulations.

double	hamiltonian () const
	Get the Hamiltonian used in field theoretic simulations.

double	idealHamiltonian () const
	Get ideal gas contribution (-lnQ) to MC Hamiltonian.

double	fieldHamiltonian () const
	Get the quadratic field contribution (HW) to MC Hamiltonian.

double	perturbationHamiltonian () const
	Get the perturbation to the standard Hamiltonian (if any).

bool	hasHamiltonian () const
	Has the MC Hamiltonian been computed for current w and c fields?

void	computeWc ()
	Compute eigenvector components of the current w fields.

DArray< RField< D > > const &	wc () const
	Get all eigenvector components of the current w fields.

RField< D > const &	wc (int a) const
	Get one eigenvector component of the current w fields.

bool	hasWc () const
	Are eigen-components of current w fields valid ?

void	computeCc ()
	Compute eigenvector components of the current c fields.

DArray< RField< D > > const &	cc () const
	Get all eigenvector components of the current c fields.

RField< D > const &	cc (int a) const
	Get one eigenvector component of the current c fields.

bool	hasCc () const
	Are eigen-components of current c fields valid ?

void	computeDc ()
	Compute functional derivatives of the Hamiltonian.

DArray< RField< D > > const &	dc () const
	Get all of the current d fields.

RField< D > const &	dc (int i) const
	Get one eigenvector component of the current d fields.

bool	hasDc () const
	Are the current d fields valid ?

void	saveState ()
	Save a copy of the fts move state.

void	restoreState ()
	Restore the saved copy of the fts move state.

void	clearState ()
	Clear the saved copy of the fts state.

System< D > &	system ()
	Get parent system by reference.

Compressor< D > &	compressor ()
	Get the compressor by reference.

bool	hasCompressor () const
	Does this Simulator have a Compressor object?

Random &	random ()
	Get random number generator by reference.

CudaRandom &	cudaRandom ()
	Get cuda random number generator by reference.

bool	hasPerturbation () const
	Does this Simulator have a Perturbation?

Perturbation< D > const &	perturbation () const
	Get the associated Perturbation by const reference.

Perturbation< D > &	perturbation ()
	Get the perturbation factory by non-const reference.

bool	hasRamp () const
	Does this Simulator have a Ramp?

Ramp< D > const &	ramp () const
	Get the associated Ramp by const reference.

Ramp< D > &	ramp ()
	Get the ramp by non-const reference.

Public Member Functions inherited from Util::ParamComposite
	ParamComposite ()
	Constructor.

	ParamComposite (const ParamComposite &other)
	Copy constructor.

	ParamComposite (int capacity)
	Constructor.

virtual	~ParamComposite ()
	Virtual destructor.

void	resetParam ()
	Resets ParamComposite to its empty state.

virtual void	readParam (std::istream &in)
	Read the parameter file block.

virtual void	readParamOptional (std::istream &in)
	Read optional parameter file block.

virtual void	writeParam (std::ostream &out) const
	Write all parameters to an output stream.

virtual void	load (Serializable::IArchive &ar)
	Load all parameters from an input archive.

virtual void	loadOptional (Serializable::IArchive &ar)
	Load an optional ParamComposite.

virtual void	loadParameters (Serializable::IArchive &ar)
	Load state from archive, without adding Begin and End lines.

virtual void	save (Serializable::OArchive &ar)
	Saves all parameters to an archive.

void	saveOptional (Serializable::OArchive &ar)
	Saves isActive flag, and then calls save() iff isActive is true.

void	readParamComposite (std::istream &in, ParamComposite &child, bool next=true)
	Add and read a required child ParamComposite.

void	readParamCompositeOptional (std::istream &in, ParamComposite &child, bool next=true)
	Add and attempt to read an optional child ParamComposite.

template<typename Type >
ScalarParam< Type > &	read (std::istream &in, const char *label, Type &value)
	Add and read a new required ScalarParam < Type > object.

template<typename Type >
ScalarParam< Type > &	readOptional (std::istream &in, const char *label, Type &value)
	Add and read a new optional ScalarParam < Type > object.

template<typename Type >
CArrayParam< Type > &	readCArray (std::istream &in, const char label, Type value, int n)
	Add and read a required C array parameter.

template<typename Type >
CArrayParam< Type > &	readOptionalCArray (std::istream &in, const char label, Type value, int n)
	Add and read an optional C array parameter.

template<typename Type >
DArrayParam< Type > &	readDArray (std::istream &in, const char *label, DArray< Type > &array, int n)
	Add and read a required DArray < Type > parameter.

template<typename Type >
DArrayParam< Type > &	readOptionalDArray (std::istream &in, const char *label, DArray< Type > &array, int n)
	Add and read an optional DArray < Type > parameter.

template<typename Type , int N>
FArrayParam< Type, N > &	readFArray (std::istream &in, const char *label, FArray< Type, N > &array)
	Add and read a required FArray < Type, N > array parameter.

template<typename Type , int N>
FArrayParam< Type, N > &	readOptionalFArray (std::istream &in, const char *label, FArray< Type, N > &array)
	Add and read an optional FArray < Type, N > array parameter.

template<typename Type , int N>
FSArrayParam< Type, N > &	readFSArray (std::istream &in, const char *label, FSArray< Type, N > &array, int size)
	Add and read a required FSArray < Type, N > array parameter.

template<typename Type , int N>
FSArrayParam< Type, N > &	readOptionalFSArray (std::istream &in, const char *label, FSArray< Type, N > &array, int size)
	Add and read an optional FSArray < Type, N > array parameter.

template<typename Type >
CArray2DParam< Type > &	readCArray2D (std::istream &in, const char label, Type value, int m, int n, int np)
	Add and read a required CArray2DParam < Type > 2D C-array.

template<typename Type >
CArray2DParam< Type > &	readOptionalCArray2D (std::istream &in, const char label, Type value, int m, int n, int np)
	Add and read an optional CArray2DParam < Type > 2D C-array parameter.

template<typename Type >
DMatrixParam< Type > &	readDMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n)
	Add and read a required DMatrix < Type > matrix parameter.

template<typename Type >
DMatrixParam< Type > &	readOptionalDMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n)
	Add and read an optional DMatrix < Type > matrix parameter.

template<typename Type >
DSymmMatrixParam< Type > &	readDSymmMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int n)
	Add and read a required symmetrix DMatrix.

template<typename Type >
DSymmMatrixParam< Type > &	readOptionalDSymmMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int n)
	Add and read an optional DMatrix matrix parameter.

Begin &	readBegin (std::istream &in, const char *label, bool isRequired=true)
	Add and read a class label and opening bracket.

End &	readEnd (std::istream &in)
	Add and read the closing bracket.

Blank &	readBlank (std::istream &in)
	Add and read a new Blank object, representing a blank line.

void	loadParamComposite (Serializable::IArchive &ar, ParamComposite &child, bool next=true)
	Add and load a required child ParamComposite.

void	loadParamCompositeOptional (Serializable::IArchive &ar, ParamComposite &child, bool next=true)
	Add and load an optional child ParamComposite if isActive.

template<typename Type >
ScalarParam< Type > &	loadParameter (Serializable::IArchive &ar, const char *label, Type &value, bool isRequired)
	Add and load a new ScalarParam < Type > object.

template<typename Type >
ScalarParam< Type > &	loadParameter (Serializable::IArchive &ar, const char *label, Type &value)
	Add and load new required ScalarParam < Type > object.

template<typename Type >
CArrayParam< Type > &	loadCArray (Serializable::IArchive &ar, const char label, Type value, int n, bool isRequired)
	Add a C array parameter and load its elements.

template<typename Type >
CArrayParam< Type > &	loadCArray (Serializable::IArchive &ar, const char label, Type value, int n)
	Add and load a required CArrayParam< Type > array parameter.

template<typename Type >
DArrayParam< Type > &	loadDArray (Serializable::IArchive &ar, const char *label, DArray< Type > &array, int n, bool isRequired)
	Add an load a DArray < Type > array parameter.

template<typename Type >
DArrayParam< Type > &	loadDArray (Serializable::IArchive &ar, const char *label, DArray< Type > &array, int n)
	Add and load a required DArray< Type > array parameter.

template<typename Type , int N>
FArrayParam< Type, N > &	loadFArray (Serializable::IArchive &ar, const char *label, FArray< Type, N > &array, bool isRequired)
	Add and load an FArray < Type, N > fixed-size array parameter.

template<typename Type , int N>
FArrayParam< Type, N > &	loadFArray (Serializable::IArchive &ar, const char *label, FArray< Type, N > &array)
	Add and load a required FArray < Type > array parameter.

template<typename Type , int N>
FSArrayParam< Type, N > &	loadFSArray (Serializable::IArchive &ar, const char *label, FSArray< Type, N > &array, int size, bool isRequired)
	Add and load an FSArray < Type, N > array parameter.

template<typename Type , int N>
FSArrayParam< Type, N > &	loadFSArray (Serializable::IArchive &ar, const char *label, FSArray< Type, N > &array, int size)
	Add and load a required FSArray < Type > array parameter.

template<typename Type >
CArray2DParam< Type > &	loadCArray2D (Serializable::IArchive &ar, const char label, Type value, int m, int n, int np, bool isRequired)
	Add and load a CArray2DParam < Type > C 2D array parameter.

template<typename Type >
CArray2DParam< Type > &	loadCArray2D (Serializable::IArchive &ar, const char label, Type value, int m, int n, int np)
	Add and load a required < Type > matrix parameter.

template<typename Type >
DMatrixParam< Type > &	loadDMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int m, int n, bool isRequired)
	Add and load a DMatrixParam < Type > matrix parameter.

template<typename Type >
DMatrixParam< Type > &	loadDMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int m, int n)
	Add and load a required DMatrixParam < Type > matrix parameter.

template<typename Type >
DSymmMatrixParam< Type > &	loadDSymmMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int n, bool isRequired)
	Add and load a symmetric DSymmMatrixParam < Type > matrix parameter.

template<typename Type >
DSymmMatrixParam< Type > &	loadDSymmMatrix (Serializable::IArchive &ar, const char *label, DMatrix< Type > &matrix, int n)
	Add and load a required DSymmMatrixParam < Type > matrix parameter.

void	addParamComposite (ParamComposite &child, bool next=true)
	Add a child ParamComposite object to the format array.

Begin &	addBegin (const char *label)
	Add a Begin object representing a class name and bracket.

End &	addEnd ()
	Add a closing bracket.

Blank &	addBlank ()
	Create and add a new Blank object, representing a blank line.

std::string	className () const
	Get class name string.

bool	isRequired () const
	Is this ParamComposite required in the input file?

bool	isActive () const
	Is this parameter active?

Public Member Functions inherited from Util::ParamComponent
virtual	~ParamComponent ()
	Destructor.

void	setIndent (const ParamComponent &parent, bool next=true)
	Set indent level.

std::string	indent () const
	Return indent string for this object (string of spaces).

template<class Archive >
void	serialize (Archive &ar, const unsigned int version)
	Serialize this ParamComponent as a string.

Public Member Functions inherited from Util::Serializable
virtual	~Serializable ()
	Destructor.

Public Member Functions inherited from Util::MpiFileIo
	MpiFileIo ()
	Constructor.

	MpiFileIo (const MpiFileIo &other)
	Copy constructor.

bool	isIoProcessor () const
	Can this processor do file I/O ?

void	setIoCommunicator (MPI::Intracomm &communicator)
	Set the communicator.

void	clearCommunicator ()
	Clear (nullify) the communicator.

bool	hasIoCommunicator () const
	Does this object have an associated MPI communicator?

MPI::Intracomm &	ioCommunicator () const
	Get the MPI communicator by reference.

Protected Member Functions
void	setClassName (const char *className)
	Set class name string.

template<typename Type >
ScalarParam< Type > &	read (std::istream &in, const char *label, Type &value)
	Add and read a new required ScalarParam < Type > object.

template<typename Type >
ScalarParam< Type > &	readOptional (std::istream &in, const char *label, Type &value)
	Add and read a new optional ScalarParam < Type > object.

void	readParamComposite (std::istream &in, ParamComposite &child, bool next=true)
	Add and read a required child ParamComposite.

void	readParamCompositeOptional (std::istream &in, ParamComposite &child, bool next=true)
	Add and attempt to read an optional child ParamComposite.

Protected Member Functions inherited from Pscf::Rpg::Simulator< D >
void	readRandomSeed (std::istream &in)
	Read random seed and initialize random number generators.

CompressorFactory< D > &	compressorFactory ()
	Get the compressor factory by reference.

void	readCompressor (std::istream &in, bool &isEnd)
	Read the compressor block of the parameter file.

PerturbationFactory< D > &	perturbationFactory ()
	Get the perturbation factory by reference.

void	readPerturbation (std::istream &in, bool &isEnd)
	Optionally read an associated perturbation.

void	setPerturbation (Perturbation< D > *ptr)
	Set the associated perturbation.

RampFactory< D > &	rampFactory ()
	Get the ramp factory by reference.

void	readRamp (std::istream &in, bool &isEnd)
	Optionally read an associated ramp.

void	setRamp (Ramp< D > *ptr)
	Set the associated ramp.

Protected Member Functions inherited from Util::ParamComposite
void	setClassName (const char *className)
	Set class name string.

void	setIsRequired (bool isRequired)
	Set or unset the isActive flag.

void	setIsActive (bool isActive)
	Set or unset the isActive flag.

void	setParent (ParamComponent &param, bool next=true)
	Set this to the parent of a child component.

void	addComponent (ParamComponent &param, bool isLeaf=true)
	Add a new ParamComponent object to the format array.

template<typename Type >
ScalarParam< Type > &	add (std::istream &in, const char *label, Type &value, bool isRequired=true)
	Add a new required ScalarParam < Type > object.

template<typename Type >
CArrayParam< Type > &	addCArray (std::istream &in, const char label, Type value, int n, bool isRequired=true)
	Add (but do not read) a required C array parameter.

template<typename Type >
DArrayParam< Type > &	addDArray (std::istream &in, const char *label, DArray< Type > &array, int n, bool isRequired=true)
	Add (but do not read) a DArray < Type > parameter.

template<typename Type , int N>
FArrayParam< Type, N > &	addFArray (std::istream &in, const char *label, FArray< Type, N > &array, bool isRequired=true)
	Add (but do not read) a FArray < Type, N > array parameter.

template<typename Type , int N>
FSArrayParam< Type, N > &	addFSArray (std::istream &in, const char *label, FSArray< Type, N > &array, int size, bool isRequired=true)
	Add (but do not read) a FSArray < Type, N > array parameter.

template<typename Type >
CArray2DParam< Type > &	addCArray2D (std::istream &in, const char label, Type value, int m, int n, int np, bool isRequired=true)
	Add (but do not read) a CArray2DParam < Type > 2D C-array.

template<typename Type >
DMatrixParam< Type > &	addDMatrix (std::istream &in, const char *label, DMatrix< Type > &matrix, int m, int n, bool isRequired=true)
	Add and read a required DMatrix < Type > matrix parameter.

Protected Member Functions inherited from Util::ParamComponent
	ParamComponent ()
	Constructor.

	ParamComponent (const ParamComponent &other)
	Copy constructor.

Additional Inherited Members
Public Types inherited from Util::Serializable
typedef BinaryFileOArchive	OArchive
	Type of output archive used by save method.

typedef BinaryFileIArchive	IArchive
	Type of input archive used by load method.

Static Public Member Functions inherited from Util::ParamComponent
static void	initStatic ()
	Initialize static echo member to false.

static void	setEcho (bool echo=true)
	Enable or disable echoing for all subclasses of ParamComponent.

static bool	echo ()
	Get echo parameter.

Protected Attributes inherited from Pscf::Rpg::Simulator< D >
Random	random_
	Random number generator.

CudaRandom	cudaRandom_
	Random number generator.

DArray< RField< D > >	wc_
	Eigenvector components of w fields on a real space grid.

DArray< RField< D > >	cc_
	Eigenvector components of c fields on a real space grid.

DArray< RField< D > >	dc_
	Components of d fields on a real space grid.

SimState< D >	state_
	State saved during fts simulation.

double	hamiltonian_
	Field theoretic Hamiltonian H[W] (extensive value).

double	idealHamiltonian_
	Ideal gas contribution (lnQ) to Hamiltonian H[W].

double	fieldHamiltonian_
	Field contribution (H_W) to Hamiltonian.

double	perturbationHamiltonian_
	Perturbation to the standard Hamiltonian (if any).

long	iStep_
	Simulation step counter.

long	iTotalStep_
	Simulation step counter.

long	seed_
	Random number generator seed.

bool	hasHamiltonian_
	Has the Hamiltonian been computed for the current w and c fields?

bool	hasWc_
	Have eigen-components of the current w fields been computed ?

bool	hasCc_
	Have eigen-components of the current c fields been computed ?

bool	hasDc_
	Have functional derivatives of H[W] been computed ?

Detailed Description

template<int D>
class Pscf::Rpg::McSimulator< D >

Monte-Carlo simulation coordinator.

Definition at line 30 of file rpg/fts/montecarlo/McSimulator.h.

Constructor & Destructor Documentation

◆ McSimulator()

template<int D>

Pscf::Rpg::McSimulator< D >::McSimulator ( System< D > & system )

Constructor.

Parameters

system parent System

Definition at line 41 of file rpg/fts/montecarlo/McSimulator.tpp.

References Pscf::Rpg::McSimulator< D >::setClassName(), and Pscf::Rpg::Simulator< D >::system().

◆ ~McSimulator()

template<int D>

Pscf::Rpg::McSimulator< D >::~McSimulator ( )

Destructor.

Definition at line 56 of file rpg/fts/montecarlo/McSimulator.tpp.

Member Function Documentation

◆ readParameters()

template<int D>

void Pscf::Rpg::McSimulator< D >::readParameters ( std::istream & in )

virtual

Read parameters for a MC simulation.

Parameters

in	input parameter stream

Reimplemented from Pscf::Rpg::Simulator< D >.

Definition at line 67 of file rpg/fts/montecarlo/McSimulator.tpp.

References UTIL_CHECK.

◆ simulate()

template<int D>

void Pscf::Rpg::McSimulator< D >::simulate ( int nStep )

virtual

Perform a field theoretic Monte-Carlo simulation.

Perform a field theoretic Monte-Carlo simulation using the partial saddle-point approximation.

Parameters

nStep number of Monte-Carlo steps

Reimplemented from Pscf::Rpg::Simulator< D >.

Definition at line 159 of file rpg/fts/montecarlo/McSimulator.tpp.

References Util::Log::file(), Util::Timer::start(), Util::Timer::stop(), Util::Timer::time(), and UTIL_CHECK.

◆ analyze()

template<int D>

void Pscf::Rpg::McSimulator< D >::analyze	(	int	min,
		int	max,
		std::string	classname,
		std::string	filename )

virtual

Read and analyze a trajectory file.

This function uses an instance of the TrajectoryReader class specified by the "classname" argument to read a trajectory file.

Parameters

min	start at this frame number
max	end at this frame number
classname	name of the TrajectoryReader class to use
filename	name of the trajectory file

Reimplemented from Pscf::Rpg::Simulator< D >.

Definition at line 281 of file rpg/fts/montecarlo/McSimulator.tpp.

References Pscf::Rpg::TrajectoryReader< D >::close(), Util::Log::file(), Pscf::Rpg::TrajectoryReader< D >::open(), Pscf::Rpg::TrajectoryReader< D >::readFrame(), Util::Timer::start(), Util::Timer::stop(), Util::Timer::time(), UTIL_CHECK, and UTIL_THROW.

◆ outputTimers()

template<int D>

void Pscf::Rpg::McSimulator< D >::outputTimers ( std::ostream & out )

virtual

Output timing results.

Reimplemented from Pscf::Rpg::Simulator< D >.

Definition at line 352 of file rpg/fts/montecarlo/McSimulator.tpp.

◆ clearTimers()

template<int D>

void Pscf::Rpg::McSimulator< D >::clearTimers ( )

virtual

Clear timers.

Reimplemented from Pscf::Rpg::Simulator< D >.

Definition at line 364 of file rpg/fts/montecarlo/McSimulator.tpp.

◆ needsCc()

template<int D>

bool Pscf::Rpg::McSimulator< D >::needsCc ( )

inline

Return the simulations whether needs to store cc fields.

Definition at line 248 of file rpg/fts/montecarlo/McSimulator.h.

◆ needsDc()

template<int D>

bool Pscf::Rpg::McSimulator< D >::needsDc ( )

inline

Return the simulations whether needs to store Dc fields.

Definition at line 255 of file rpg/fts/montecarlo/McSimulator.h.

◆ hasMcMoves()

template<int D>

bool Pscf::Rpg::McSimulator< D >::hasMcMoves ( ) const

inline

Does this McSimulator have any MC moves defined?

Equivalent to a test for mcMoveManager().size() > 0.

Definition at line 224 of file rpg/fts/montecarlo/McSimulator.h.

◆ mcMoveManager()

template<int D>

McMoveManager< D > & Pscf::Rpg::McSimulator< D >::mcMoveManager ( )

inline

Get McMoveManger.

Definition at line 229 of file rpg/fts/montecarlo/McSimulator.h.

◆ analyzerManager()

template<int D>

AnalyzerManager< D > & Pscf::Rpg::McSimulator< D >::analyzerManager ( )

inline

Get AnalyzerManger.

Definition at line 234 of file rpg/fts/montecarlo/McSimulator.h.

◆ trajectoryReaderFactory()

template<int D>

Factory< TrajectoryReader< D > > & Pscf::Rpg::McSimulator< D >::trajectoryReaderFactory ( )

inline

Get the trajectory reader factory by reference.

Definition at line 240 of file rpg/fts/montecarlo/McSimulator.h.

References UTIL_ASSERT.

◆ setClassName()

template<int D>

void Util::ParamComposite::setClassName ( const char * className )

protected

Set class name string.

Should be set in subclass constructor.

Definition at line 900 of file ParamComposite.cpp.

Referenced by Pscf::Rpg::McSimulator< D >::McSimulator().

◆ read()

template<int D>

template<typename Type >

ScalarParam< Type > & Util::ParamComposite::read	(	std::istream &	in,
		const char *	label,
		Type &	value )

protected

Add and read a new required ScalarParam < Type > object.

This is equivalent to ScalarParam<Type>(in, label, value, true).

Parameters

in	input stream for reading
label	Label string
value	reference to new ScalarParam< Type >

Definition at line 305 of file ParamComposite.h.

Referenced by pscfpp.command.Script::__init__(), pscfpp.field.Field::__init__(), pscfpp.output.Thermo::__init__(), pscfpp.param.Array::__init__(), pscfpp.param.Composite::__init__(), and pscfpp.param.Matrix::__init__().

◆ readOptional()

template<int D>

template<typename Type >

ScalarParam< Type > & Util::ParamComposite::readOptional	(	std::istream &	in,
		const char *	label,
		Type &	value )

inlineprotected

Add and read a new optional ScalarParam < Type > object.

This is equivalent to ScalarParam<Type>(in, label, value, false).

Parameters

in	input stream for reading
label	Label string
value	reference to new ScalarParam< Type >

Definition at line 319 of file ParamComposite.h.

◆ readParamComposite()

template<int D>

void Util::ParamComposite::readParamComposite	(	std::istream &	in,
		ParamComposite &	child,
		bool	next = true )

protected

Add and read a required child ParamComposite.

Parameters

in	input stream for reading
child	child ParamComposite object
next	true if the indent level is one higher than parent.

Definition at line 281 of file ParamComposite.cpp.

◆ readParamCompositeOptional()

template<int D>

void Util::ParamComposite::readParamCompositeOptional	(	std::istream &	in,
		ParamComposite &	child,
		bool	next = true )

protected

Add and attempt to read an optional child ParamComposite.

Parameters

in	input stream for reading
child	child ParamComposite object
next	true if the indent level is one higher than parent.

Definition at line 292 of file ParamComposite.cpp.

The documentation for this class was generated from the following files:

Public Member Functions

Protected Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ McSimulator()

◆ ~McSimulator()

Member Function Documentation

◆ readParameters()

◆ simulate()

◆ analyze()

◆ outputTimers()

◆ clearTimers()

◆ needsCc()

◆ needsDc()

◆ hasMcMoves()

◆ mcMoveManager()

◆ analyzerManager()

◆ trajectoryReaderFactory()

◆ setClassName()

◆ read()

◆ readOptional()

◆ readParamComposite()

◆ readParamCompositeOptional()