Base class template for a complex CL-FTS system. More...

#include <System.h>

Inheritance diagram for Pscf::Cp::System< D, T >:

Public Member Functions
Construction and Destruction
	System (typename T::System &system)
	Constructor.
	~System ()
	Destructor.
Lifetime Actions
void	setOptions (int argc, char **argv)
	Process command line options.
virtual void	readParam (std::istream &in)
	Read input parameters (with opening and closing lines).
void	readParam ()
	Read input parameters from default param file.
virtual void	readParameters (std::istream &in)
	Read body of parameter block (without opening and closing lines).
void	readCommands (std::istream &in)
	Read and process commands from an input stream.
void	readCommands ()
	Read and process commands from the default command file.
Field Theory Computations
void	compute (bool needStress=false)
	Solve the modified diffusion equation once, without iteration.
void	simulate (int nStep)
	Perform a field theoretic simulation (PS-FTS).
void	clearCFields ()
	Mark c-fields and free energy as outdated or invalid.
Unit Cell Modifiers
void	setUnitCell (UnitCell< D > const &unitCell)
	Set parameters of the associated unit cell.
void	setUnitCell (FSArray< double, 6 > const &parameters)
	Set parameters of the associated unit cell.
void	clearUnitCellData ()
	Notify System members that unit cell parameters have been modified.
Field Containers
T::CFields const &	c () const
	Get the monomer concentration (c) fields (const).
T::WFields &	w ()
	Get the chemical potential (w) fields (non-const).
T::WFields const &	w () const
	Get the chemical potential (w) fields (const).
Component Object Accessors
T::Mixture const &	mixture () const
	Get the Mixture (const).
T::Interaction &	interaction ()
	Get the Interaction (non-const).
T::Interaction const &	interaction () const
	Get the Interaction (const).
T::Domain const &	domain () const
	Get the Domain (const).
FileMaster &	fileMaster ()
	Get the FileMaster (non-const).
FileMaster const &	fileMaster () const
	Get the FileMaster (const).
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	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 ?

Protected Member Functions
virtual void	setThreadCount (int nThread)
	Set the number of threads given as a command line argument.
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.

Detailed Description

template<int D, class T>
class Pscf::Cp::System< D, T >

Base class template for a complex CL-FTS system.

Template parameters and typename aliases:

D - integer dimensionality of space (D=1, 2, or 3) T - "Types" class collection of aliases for related classes

Usage : A specialization of System<D, T> is used as a base class for System<D> classes defined in namespaces Cpc and Cpg, for D=1, 2, or 3. In this usage, template parameter T must be a specialization named Types<D> of a template <int D> class Types that is defined in each of these two namespaces. For example, in namespace Cpc, for each value of D, class Cpc::System<D> is derived from the class Prdc::System< D, Cpc::Types<D> >. For each such program level namespace, Types<D> defines a set of of typename aliases for classes used in that namespace, for the specified value of D. For example, the typename Cpc::Types<D>Mixture is an alias for the type Cpc::Mixture<D> used to represent a mixture in the Cpc namespace for systems of dimension D. See the definitions of Cpc::Types and Cpg::Types for details.

In the remainder of the documentation for this template, Cp::System, unqualified names such as "Mixture", "Iterator", etc. are often used as shorthand for typename aliases such as T::Mixture, T::Iterator that are defined in class T (i.e., in Cpc::Types<D> or Cpg::Types<D>)

Class Components : A System object has:

a Mixture (container for polymer and solvent solvers)
an Interaction (description of binary interactions)
a Domain (description of unit cell and discretization)
a WFields container of monomer chemical potential (w) fields
a CFields container of monomer concentration (c) fields
a Simulator

Definition at line 73 of file cp/system/System.h.

Constructor & Destructor Documentation

◆ System()

template<int D, class T>

Pscf::Cp::System< D, T >::System ( typename T::System< D, T > & system )

Constructor.

When a specialization of System<D,T> is used as a base class for a concrete System class, such as Cpc::System<D>, the typename T::System must be an alias for the name of the subclass. In this usage, in the member initialization list of the T::System subclass constructor, a reference to the subclass instance must be passed as "*this" to this System base class constructor. The address of the instance of the T::System subclass is then retained in the Cp::System base class instance by a private member variable named systemPtr_ that is of type T::System* . See definitions of the constructors for the Cpc::System and Cpc::System class templates for examples of this usage.

Parameters

system instance of System subclass

Definition at line 41 of file cp/system/System.tpp.

References Util::Signal< T >::addObserver(), clearCFields(), clearUnitCellData(), Util::BracketPolicy::set(), and Util::ParamComposite::setClassName().

◆ ~System()

template<int D, class T>

Pscf::Cp::System< D, T >::~System ( )

Destructor.

Definition at line 104 of file cp/system/System.tpp.

Member Function Documentation

◆ setOptions()

template<int D, class T>

void Pscf::Cp::System< D, T >::setOptions	(	int	argc,
		char **	argv )

Process command line options.

This function takes the same arguments as any C/C++ main program function. The arguments of the main function should d be passed to this function unaltered, to allow this function to process the command line options.

Parameters

argc	number of command line arguments
argv	array of pointers to command line arguments

Definition at line 123 of file cp/system/System.tpp.

◆ readParam() [1/2]

template<int D, class T>

void Pscf::Cp::System< D, T >::readParam ( std::istream & in )

virtual

Read input parameters (with opening and closing lines).

Parameters

in	input parameter stream

Reimplemented from Util::ParamComposite.

Definition at line 303 of file cp/system/System.tpp.

References Util::ParamComposite::className(), Util::ParamComposite::readBegin(), Util::ParamComposite::readEnd(), and readParameters().

Referenced by readParam().

◆ readParam() [2/2]

template<int D, class T>

void Pscf::Cp::System< D, T >::readParam ( )

Read input parameters from default param file.

This function reads the parameter file set by the -p command line option.

Definition at line 314 of file cp/system/System.tpp.

References fileMaster(), and readParam().

◆ readParameters()

template<int D, class T>

void Pscf::Cp::System< D, T >::readParameters ( std::istream & in )

virtual

Read body of parameter block (without opening and closing lines).

Parameters

in	input parameter stream

Reimplemented from Util::ParamComposite.

Definition at line 228 of file cp/system/System.tpp.

References Pscf::PolymerModel::isLocked(), Util::ParamComposite::readOptional(), and Pscf::PolymerModel::setModel().

Referenced by readParam().

◆ readCommands() [1/2]

template<int D, class T>

void Pscf::Cp::System< D, T >::readCommands ( std::istream & in )

Read and process commands from an input stream.

Parameters

in	command script input stream

Definition at line 321 of file cp/system/System.tpp.

References c(), compute(), Util::Log::file(), fileMaster(), setUnitCell(), simulate(), UTIL_CHECK, w(), and Util::ParamComposite::writeParam().

Referenced by readCommands().

◆ readCommands() [2/2]

template<int D, class T>

void Pscf::Cp::System< D, T >::readCommands ( )

Read and process commands from the default command file.

This function reads the parameter file set by the -c command line option.

Definition at line 474 of file cp/system/System.tpp.

References fileMaster(), readCommands(), and UTIL_THROW.

◆ compute()

template<int D, class T>

void Pscf::Cp::System< D, T >::compute ( bool needStress = false )

Solve the modified diffusion equation once, without iteration.

This function calls the Mixture::compute() function to solve the statistical mechanics problem for a non-interacting system subjected to the currrent system chemical potential fields. This requires solution of the modified diffusion equation for all polymers, computation of Boltzmann weights for all solvents, computation of molecular partition functions for all species, computation of concentration fields for all blocks and solvents, and computation of overall concentrations for all monomer types. This function does not compute the canonical (Helmholtz) free energy or grand-canonical free energy (i.e., pressure).

This function also computes the stress, by calling computeStress(), if and only if the argument needStress is true.

Precondition: w().hasData() == true

Postcondition: c().hasData() == true; hasStress() == true iff needStress == true

Parameters

needStress true if stress is needed, false otherwise

Definition at line 488 of file cp/system/System.tpp.

References clearCFields(), and UTIL_CHECK.

Referenced by readCommands().

◆ simulate()

template<int D, class T>

void Pscf::Cp::System< D, T >::simulate ( int nStep )

Perform a field theoretic simulation (PS-FTS).

Perform a complex Langevin field theoretic simulation (Cl-FTS). The number of CL steps to be performed is given by the parameter "nStep".

Precondition: Function w().hasData() == true

Parameters

nStep number of simulation (BD or MC) steps

Referenced by readCommands().

◆ clearCFields()

template<int D, class T>

void Pscf::Cp::System< D, T >::clearCFields ( )

Mark c-fields and free energy as outdated or invalid.

This function should be called whenever any of the inputs to the solution of the modified diffusion equation are modified, including the w fields or unit cell parameters. Upon return, c().hasData() will return false.

Definition at line 522 of file cp/system/System.tpp.

Referenced by clearUnitCellData(), compute(), and System().

◆ setUnitCell() [1/2]

template<int D, class T>

void Pscf::Cp::System< D, T >::setUnitCell ( UnitCell< D > const & unitCell )

Set parameters of the associated unit cell.

The lattice (i.e., lattice system type) set in the UnitCell<D> unitCell input parameter must agree with the lattice enum value that was set previously in the parameter file.

If a space group has been declared but a basis has not yet been initialized, then a symmetry-adapted basis will be constructed.

Parameters

unitCell new UnitCell<D> (with new parameters)

Definition at line 531 of file cp/system/System.tpp.

References UTIL_CHECK.

Referenced by readCommands().

◆ setUnitCell() [2/2]

template<int D, class T>

void Pscf::Cp::System< D, T >::setUnitCell ( FSArray< double, 6 > const & parameters )

Set parameters of the associated unit cell.

The lattice type must have been set before this function is called. The logical size of the FSArray<double, 6> "parameters" array must match the expected number of parameters for the current lattice type.

If a space group has been declared but a basis has not yet been initialized, then a symmetry-adapted basis will be constructed.

Parameters

parameters array of new unit cell parameters

Definition at line 550 of file cp/system/System.tpp.

References UTIL_CHECK.

◆ clearUnitCellData()

template<int D, class T>

void Pscf::Cp::System< D, T >::clearUnitCellData ( )

Notify System members that unit cell parameters have been modified.

This function should be called whenever the unit cell parameters are modified. It calls functions mixture().clearUnitCellData(), domain().wavelist().clearUnitCellData(), and clearCFields().

Definition at line 572 of file cp/system/System.tpp.

References clearCFields().

Referenced by System().

◆ c()

template<int D, class T>

T::CFields const & Pscf::Cp::System< D, T >::c ( ) const

inline

Get the monomer concentration (c) fields (const).

Definition at line 559 of file cp/system/System.h.

Referenced by readCommands().

◆ w() [1/2]

template<int D, class T>

T::WFields & Pscf::Cp::System< D, T >::w ( )

inline

Get the chemical potential (w) fields (non-const).

Definition at line 564 of file cp/system/System.h.

Referenced by readCommands().

◆ w() [2/2]

template<int D, class T>

T::WFields const & Pscf::Cp::System< D, T >::w ( ) const

inline

Get the chemical potential (w) fields (const).

Definition at line 569 of file cp/system/System.h.

◆ mixture()

template<int D, class T>

T::Mixture const & Pscf::Cp::System< D, T >::mixture ( ) const

inline

Get the Mixture (const).

Definition at line 495 of file cp/system/System.h.

◆ interaction() [1/2]

template<int D, class T>

T::Interaction & Pscf::Cp::System< D, T >::interaction ( )

inline

Get the Interaction (non-const).

Definition at line 510 of file cp/system/System.h.

References UTIL_ASSERT.

◆ interaction() [2/2]

template<int D, class T>

T::Interaction const & Pscf::Cp::System< D, T >::interaction ( ) const

inline

Get the Interaction (const).

Definition at line 518 of file cp/system/System.h.

References UTIL_ASSERT.

◆ domain()

template<int D, class T>

T::Domain const & Pscf::Cp::System< D, T >::domain ( ) const

inline

Get the Domain (const).

Definition at line 526 of file cp/system/System.h.

◆ fileMaster() [1/2]

template<int D, class T>

FileMaster & Pscf::Cp::System< D, T >::fileMaster ( )

inline

Get the FileMaster (non-const).

Access (non-const) is used in some unit tests.

Definition at line 549 of file cp/system/System.h.

Referenced by readCommands(), readCommands(), and readParam().

◆ fileMaster() [2/2]

template<int D, class T>

FileMaster const & Pscf::Cp::System< D, T >::fileMaster ( ) const

inline

Get the FileMaster (const).

Definition at line 554 of file cp/system/System.h.

◆ setThreadCount()

template<int D, class T>

virtual void Pscf::Cp::System< D, T >::setThreadCount ( int nThread )

inlineprotectedvirtual

Set the number of threads given as a command line argument.

This function is called in the setOpts function that processes command line arguments. The argument nThread may be passed to the main program as the argument of the -t option. This value gives the number of threads in a threaded CPU implementation or an explicit choice for the maximum number of threads per block in GPU code.

The do-nothing default implementation is used by CPU code that has not implemented threading (the current status).

Parameters

nThread thread count

Definition at line 377 of file cp/system/System.h.

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

◆ System()

◆ ~System()

Member Function Documentation

◆ setOptions()

◆ readParam() [1/2]

◆ readParam() [2/2]

◆ readParameters()

◆ readCommands() [1/2]

◆ readCommands() [2/2]

◆ compute()

◆ simulate()

◆ clearCFields()

◆ setUnitCell() [1/2]

◆ setUnitCell() [2/2]

◆ clearUnitCellData()

◆ c()

◆ w() [1/2]

◆ w() [2/2]

◆ mixture()

◆ interaction() [1/2]

◆ interaction() [2/2]

◆ domain()

◆ fileMaster() [1/2]

◆ fileMaster() [2/2]

◆ setThreadCount()