MDE solver for one direction of one block. More...

#include <Propagator.h>

Inheritance diagram for Pscf::Rpc::Propagator< D >:

Public Member Functions
	Propagator ()
	Constructor.
	~Propagator ()
	Destructor.
void	allocate (int ns, const Mesh< D > &mesh) override
	Allocate memory used by this propagator.
void	reallocate (int ns) override
	Reallocate memory used by this propagator.
Public Member Functions inherited from Pscf::Rp::Propagator< D, Types< D > >
void	setBlock (typename Types< D >::Block &block)
	Associate this propagator with a block.
void	solve ()
	Solve the modified diffusion equation (MDE) for this block.
void	solve (typename Types< D >::RField const &head)
	Solve the MDE for a specified initial condition.
void	computeQ (double &Q) const
	Compute and return partition function for the polymer molecule.
const Types< D >::RField &	q (int i) const
	Return q-field at a specified step.
const Types< D >::RField &	head () const
	Return q-field at the initial (head) vertex.
const Types< D >::RField &	tail () const
	Return q-field at the terminal (tail) vertex.
Types< D >::Block const &	block () const
	Get the associated Block object by const reference.
Mesh< D > const &	mesh () const
	Return the associated Mesh object by const reference.
int	ns () const
	Get the number of values of s (or slices), including head and tail.
bool	isAllocated () const
	Has memory been allocated for this propagator?
Public Member Functions inherited from Pscf::PropagatorTmpl< QT >
void	setDirectionId (int directionId)
	Associate this propagator with a direction index.
void	setPartner (const QT &partner)
	Set the partner of this propagator.
void	addSource (const QT &source)
	Add a propagator to the list of sources for this one.
void	setIsSolved (bool isSolved)
	Set the isSolved flag to true or false.
void	setEndFlags (bool isHeadEnd, bool isTailEnd)
	Set flags indicating whether vertices are chain ends.
const QT &	source (int id) const
	Get a source propagator.
const QT &	partner () const
	Get partner propagator.
int	directionId () const
	Get direction index for this propagator.
int	nSource () const
	Number of source / prerequisite propagators.
bool	hasPartner () const
	Does this have a partner propagator?
bool	isHeadEnd () const
	Is the head vertex a chain end?
bool	isTailEnd () const
	Is the tail vertex a chain end?
bool	isSolved () const
	Has the modified diffusion equation been solved?
bool	isReady () const
	Are all source propagators solved?

Protected Types
using	RpPropagatorT = Rp::Propagator<D, Types<D> >
	Direct (parent) base class.

Protected Member Functions
void	computeHead ()
	Compute initial q-field at the head vertex.
Protected Member Functions inherited from Pscf::Rp::Propagator< D, Types< D > >
	Propagator ()
	Constructor.
	~Propagator ()
	Destructor.
void	computeHead ()
	Compute initial q-field at the head vertex.
void	solveMde ()
	Compute solution of modified diffusion equation (MDE).
Types< D >::Block &	block ()
	Get the associated Block object by non-const reference.
Protected Member Functions inherited from Pscf::PropagatorTmpl< QT >
	PropagatorTmpl ()
	Constructor.

Protected Attributes
DArray< typename Types< D >::RField >	qFields_
	Inherited non-dependent class members.
int	ns_
	Number of slices, including head and tail slices.
bool	isAllocated_
	Is this propagator allocated?
Protected Attributes inherited from Pscf::Rp::Propagator< D, Types< D > >
DArray< typename Types< D >::RField >	qFields_
	Array of propagator slices at different contour variable values.
int	ns_
	Number of slices, including head and tail slices.
bool	isAllocated_
	Is this propagator allocated?

Additional Inherited Members
Public Types inherited from Pscf::Rp::Propagator< D, Types< D > >
using	PropagatorTmplT
	Direct (parent) base class.

Detailed Description

template<int D>
class Pscf::Rpc::Propagator< D >

MDE solver for one direction of one block.

Specializations of this template with D=1, 2, and 3 are derived from corresponding specializations of base class template Rp::Propagator, and inherit their public interface and almost all of their source code from this base class. Specializations of this template are also indirectly derived from specializations of the Pscf::PropagatorTmpl template.

Virtual allocate() and reallocate() functions are defined here and in the analogous Rpg::Propagator class template because the CPU and GPU versions of this class use different strategies for memory allocation.

See also: Rp::Propagator; Pscf::PropagatorTmpl

Definition at line 40 of file rpc/solvers/Propagator.h.

Member Typedef Documentation

◆ RpPropagatorT

template<int D>

using Pscf::Rpc::Propagator< D >::RpPropagatorT = Rp::Propagator<D, Types<D> >

protected

Direct (parent) base class.

Definition at line 89 of file rpc/solvers/Propagator.h.

Constructor & Destructor Documentation

◆ Propagator()

template<int D>

Pscf::Rpc::Propagator< D >::Propagator ( )

Constructor.

Definition at line 26 of file rpc/solvers/Propagator.cpp.

◆ ~Propagator()

template<int D>

Pscf::Rpc::Propagator< D >::~Propagator ( )

Destructor.

Definition at line 34 of file rpc/solvers/Propagator.cpp.

Member Function Documentation

◆ allocate()

template<int D>

void Pscf::Rpc::Propagator< D >::allocate	(	int	ns,
		const Mesh< D > &	mesh )

overridevirtual

Allocate memory used by this propagator.

The parameter ns is the number of values of s at which q(r,s) is calculated, including the end values at the terminating vertices. See docs for the function ns(), which returns this value.

The address of the associated Mesh<D> object is retained.

An Exception is thrown if the propagator is already allocated.

Parameters

ns	number of slices (including end points at vertices)
mesh	spatial discretization mesh

Reimplemented from Pscf::Rp::Propagator< D, Types< D > >.

Definition at line 41 of file rpc/solvers/Propagator.cpp.

References Pscf::Rp::Propagator< D, Types< D > >::allocate(), isAllocated_, Pscf::Rp::Propagator< D, Types< D > >::mesh(), Pscf::Rp::Propagator< D, Types< D > >::ns(), qFields_, Pscf::PropagatorTmpl< QT >::setIsSolved(), and UTIL_CHECK.

◆ reallocate()

template<int D>

void Pscf::Rpc::Propagator< D >::reallocate ( int ns )

overridevirtual

Reallocate memory used by this propagator.

This function is used when the value of ns is changed, which can occur during some parameter sweeps. See docs for allocate and ns.

An Exception is thrown if the propagator has not been previously allocated, or if it is allocated but the value of ns is unchanged.

Parameters

ns	number of slices (including end points)

Reimplemented from Pscf::Rp::Propagator< D, Types< D > >.

Definition at line 59 of file rpc/solvers/Propagator.cpp.

References Pscf::Rp::Propagator< D, Types< D > >::mesh(), Pscf::Rp::Propagator< D, Types< D > >::ns(), qFields_, Pscf::Rp::Propagator< D, Types< D > >::reallocate(), Pscf::PropagatorTmpl< QT >::setIsSolved(), and UTIL_CHECK.

◆ computeHead()

template<int D>

void Pscf::Rp::Propagator< D, Types< D > >::computeHead ( )

protected

Compute initial q-field at the head vertex.

In either the thread or bead model, the head slice of each propagator is the product of tail slices for incoming propagators from other bonds that terminate at the head vertex, or 1 for a chain end.

Member Data Documentation

◆ qFields_

template<int D>

DArray<typename Types< D >::RField> Pscf::Rp::Propagator< D, Types< D > >::qFields_

protected

Inherited non-dependent class members.

Definition at line 191 of file rp/solvers/Propagator.h.

Referenced by allocate(), and reallocate().

◆ ns_

template<int D>

int Pscf::Rp::Propagator< D, Types< D > >::ns_

protected

Number of slices, including head and tail slices.

Definition at line 194 of file rp/solvers/Propagator.h.

◆ isAllocated_

template<int D>

bool Pscf::Rp::Propagator< D, Types< D > >::isAllocated_

protected

Is this propagator allocated?

Definition at line 197 of file rp/solvers/Propagator.h.

Referenced by allocate().

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

Public Member Functions

Protected Types

Protected Member Functions

Protected Attributes

Additional Inherited Members

Detailed Description

Member Typedef Documentation

◆ RpPropagatorT

Constructor & Destructor Documentation

◆ Propagator()

◆ ~Propagator()

Member Function Documentation

◆ allocate()

◆ reallocate()

◆ computeHead()

Member Data Documentation

◆ qFields_

◆ ns_

◆ isAllocated_