Base class for backflow transformations. More...

Inheritance diagram for BackflowFunctionBase:

Collaboration diagram for BackflowFunctionBase:

Public Types
enum	{ DIM = OHMMS_DIM }

enum	{ ORB_PBYP_RATIO, ORB_PBYP_ALL, ORB_PBYP_PARTIAL, ORB_WALKER, ORB_ALLWALKER }
	enum for a update mode More...

using	Walker_t = ParticleSet::Walker_t

using	WFBufferType = Walker_t::WFBuffer_t

using	RealType = OHMMS_PRECISION

using	IndexType = int

using	PosType = TinyVector< RealType, DIM >

using	GradType = TinyVector< RealType, DIM >

using	HessType = Tensor< RealType, DIM >

using	IndexVector = Vector< IndexType >

using	GradVector = Vector< GradType >

using	GradMatrix = Matrix< GradType >

using	HessVector = Vector< HessType >

using	HessMatrix = Matrix< HessType >

using	HessArray = Array< HessType, 3 >

Public Member Functions
	BackflowFunctionBase (ParticleSet &ions, ParticleSet &els)

void	resize (int NT, int NC)

virtual std::unique_ptr< BackflowFunctionBase >	makeClone (ParticleSet &tqp) const =0

virtual	~BackflowFunctionBase ()

virtual void	acceptMove (int iat, int UpdateType)=0

virtual void	restore (int iat, int UpdateType)=0

virtual void	reportStatus (std::ostream &os)=0

virtual void	resetParameters (const opt_variables_type &active)=0

virtual void	checkInVariables (opt_variables_type &active)=0

virtual void	checkOutVariables (const opt_variables_type &active)=0

virtual bool	isOptimizable ()=0

virtual int	indexOffset ()=0

int	setParamIndex (int n)

virtual void	registerData (WFBufferType &buf)=0

void	updateBuffer (WFBufferType &buf)

void	copyFromBuffer (WFBufferType &buf)

virtual void	evaluate (const ParticleSet &P, ParticleSet &QP)=0
	calculate quasi-particle coordinates only More...

virtual void	evaluate (const ParticleSet &P, ParticleSet &QP, GradMatrix &Bmat, HessMatrix &Amat)=0
	calculate quasi-particle coordinates, Bmat and Amat More...

virtual void	evaluatePbyP (const ParticleSet &P, ParticleSet::ParticlePos &newQP, const std::vector< int > &index)=0
	calculate quasi-particle coordinates after pbyp move More...

virtual void	evaluatePbyP (const ParticleSet &P, ParticleSet::ParticlePos &newQP, const std::vector< int > &index, HessMatrix &Amat)=0
	calculate quasi-particle coordinates and Amat after pbyp move More...

virtual void	evaluatePbyP (const ParticleSet &P, ParticleSet::ParticlePos &newQP, const std::vector< int > &index, GradMatrix &Bmat, HessMatrix &Amat)=0
	calculate quasi-particle coordinates, Bmat and Amat after pbyp move More...

virtual void	evaluatePbyP (const ParticleSet &P, int iat, ParticleSet::ParticlePos &newQP)=0
	calculate quasi-particle coordinates after pbyp move More...

virtual void	evaluatePbyP (const ParticleSet &P, int iat, ParticleSet::ParticlePos &newQP, HessMatrix &Amat)=0
	calculate quasi-particle coordinates and Amat after pbyp move More...

virtual void	evaluatePbyP (const ParticleSet &P, int iat, ParticleSet::ParticlePos &newQP, GradMatrix &Bmat, HessMatrix &Amat)=0
	calculate quasi-particle coordinates, Bmat and Amat after pbyp move More...

virtual void	evaluateBmatOnly (const ParticleSet &P, GradMatrix &Bmat_full)=0
	calculate only Bmat This is used in pbyp moves, in updateBuffer() More...

virtual void	evaluateWithDerivatives (const ParticleSet &P, ParticleSet &QP, GradMatrix &Bmat, HessMatrix &Amat, GradMatrix &Cmat, GradMatrix &Ymat, HessArray &Xmat)=0
	calculate quasi-particle coordinates, Bmat and Amat calculate derivatives wrt to variational parameters More...

Public Attributes
ParticleSet &	CenterSys
	Reference to the center. More...

int	NumCenters
	number of centers, e.g., ions More...

int	NumTargets
	number of quantum particles More...

int	numParams

int	indexOfFirstParam

std::vector< TinyVector< RealType, 3 > >	derivs

Matrix< PosType >	UIJ

Vector< PosType >	UIJ_temp

HessMatrix	AIJ

HessVector	AIJ_temp

GradMatrix	BIJ

GradVector	BIJ_temp

RealType *	FirstOfU

RealType *	LastOfU

RealType *	FirstOfA

RealType *	LastOfA

RealType *	FirstOfB

RealType *	LastOfB

bool	uniqueFunctions

opt_variables_type	myVars

Detailed Description

Base class for backflow transformations.

FT is an optimizable functor class that implements the radial function Any class used for Jastrow functions should work

Definition at line 30 of file BackflowFunctionBase.h.

Member Typedef Documentation

◆ GradMatrix

using GradMatrix = Matrix<GradType>

Definition at line 48 of file BackflowFunctionBase.h.

◆ GradType

using GradType = TinyVector<RealType, DIM>

Definition at line 44 of file BackflowFunctionBase.h.

◆ GradVector

using GradVector = Vector<GradType>

Definition at line 47 of file BackflowFunctionBase.h.

◆ HessArray

using HessArray = Array<HessType, 3>

Definition at line 52 of file BackflowFunctionBase.h.

◆ HessMatrix

using HessMatrix = Matrix<HessType>

Definition at line 50 of file BackflowFunctionBase.h.

◆ HessType

using HessType = Tensor<RealType, DIM>

Definition at line 45 of file BackflowFunctionBase.h.

◆ HessVector

using HessVector = Vector<HessType>

Definition at line 49 of file BackflowFunctionBase.h.

◆ IndexType

using IndexType = int

Definition at line 42 of file BackflowFunctionBase.h.

◆ IndexVector

using IndexVector = Vector<IndexType>

Definition at line 46 of file BackflowFunctionBase.h.

◆ PosType

using PosType = TinyVector<RealType, DIM>

Definition at line 43 of file BackflowFunctionBase.h.

◆ RealType

using RealType = OHMMS_PRECISION

Definition at line 41 of file BackflowFunctionBase.h.

◆ Walker_t

using Walker_t = ParticleSet::Walker_t

Definition at line 33 of file BackflowFunctionBase.h.

◆ WFBufferType

using WFBufferType = Walker_t::WFBuffer_t

Definition at line 34 of file BackflowFunctionBase.h.

Member Enumeration Documentation

◆ anonymous enum

anonymous enum

Enumerator
DIM

Definition at line 37 of file BackflowFunctionBase.h.

   {
     DIM = OHMMS_DIM
   };

◆ anonymous enum

anonymous enum

enum for a update mode

Enumerator
ORB_PBYP_RATIO	particle-by-particle ratio only
ORB_PBYP_ALL	particle-by-particle, update Value-Gradient-Laplacian
ORB_PBYP_PARTIAL	particle-by-particle, update Value and Grdient
ORB_WALKER	walker update
ORB_ALLWALKER	all walkers update

Definition at line 57 of file BackflowFunctionBase.h.

   {
     ORB_PBYP_RATIO,   /*!< particle-by-particle ratio only */
     ORB_PBYP_ALL,     /*!< particle-by-particle, update Value-Gradient-Laplacian */
     ORB_PBYP_PARTIAL, /*!< particle-by-particle, update Value and Grdient */
     ORB_WALKER,       /*!< walker update */
     ORB_ALLWALKER     /*!< all walkers update */
   };

Constructor & Destructor Documentation

◆ BackflowFunctionBase()

BackflowFunctionBase	(	ParticleSet &	ions,
		ParticleSet &	els
	)

inline

Definition at line 97 of file BackflowFunctionBase.h.

References BackflowFunctionBase::CenterSys, ParticleSet::getTotalNum(), BackflowFunctionBase::NumCenters, and BackflowFunctionBase::NumTargets.

       : CenterSys(ions), numParams(0), indexOfFirstParam(-1), uniqueFunctions(false)
   {
     NumCenters = CenterSys.getTotalNum(); // in case
     NumTargets = els.getTotalNum();
   }

◆ ~BackflowFunctionBase()

virtual ~BackflowFunctionBase ( )

inlinevirtual

Definition at line 124 of file BackflowFunctionBase.h.

124 {};

Member Function Documentation

◆ acceptMove()

virtual void acceptMove	(	int	iat,
		int	UpdateType
	)

pure virtual

Implemented in Backflow_eI_spin< FT >, Backflow_ee_kSpace, Backflow_ee< FT >, and Backflow_eI< FT >.

◆ checkInVariables()

virtual void checkInVariables ( opt_variables_type & active )

pure virtual

Implemented in Backflow_ee_kSpace, Backflow_eI_spin< FT >, Backflow_ee< FT >, and Backflow_eI< FT >.

◆ checkOutVariables()

virtual void checkOutVariables ( const opt_variables_type & active )

pure virtual

Implemented in Backflow_ee_kSpace, Backflow_eI_spin< FT >, Backflow_ee< FT >, and Backflow_eI< FT >.

◆ copyFromBuffer()

void copyFromBuffer ( WFBufferType & buf )

inline

Definition at line 158 of file BackflowFunctionBase.h.

References BackflowFunctionBase::FirstOfA, BackflowFunctionBase::FirstOfB, BackflowFunctionBase::FirstOfU, PooledMemory< T_scalar, Alloc >::get(), BackflowFunctionBase::LastOfA, BackflowFunctionBase::LastOfB, and BackflowFunctionBase::LastOfU.

   {
     buf.get(FirstOfU, LastOfU);
     buf.get(FirstOfA, LastOfA);
     buf.get(FirstOfB, LastOfB);
   }

◆ evaluate() [1/2]

virtual void evaluate	(	const ParticleSet &	P,
		ParticleSet &	QP
	)

pure virtual

calculate quasi-particle coordinates only

Implemented in Backflow_ee_kSpace, Backflow_eI_spin< FT >, Backflow_ee< FT >, and Backflow_eI< FT >.

◆ evaluate() [2/2]

virtual void evaluate	(	const ParticleSet &	P,
		ParticleSet &	QP,
		GradMatrix &	Bmat,
		HessMatrix &	Amat
	)

pure virtual

calculate quasi-particle coordinates, Bmat and Amat

Implemented in Backflow_eI_spin< FT >, Backflow_ee< FT >, Backflow_ee_kSpace, and Backflow_eI< FT >.

◆ evaluateBmatOnly()

virtual void evaluateBmatOnly	(	const ParticleSet &	P,
		GradMatrix &	Bmat_full
	)

pure virtual

calculate only Bmat This is used in pbyp moves, in updateBuffer()

Implemented in Backflow_ee< FT >, Backflow_eI_spin< FT >, Backflow_eI< FT >, and Backflow_ee_kSpace.

◆ evaluatePbyP() [1/6]

virtual void evaluatePbyP	(	const ParticleSet &	P,
		ParticleSet::ParticlePos &	newQP,
		const std::vector< int > &	index
	)

pure virtual

calculate quasi-particle coordinates after pbyp move

Implemented in Backflow_eI_spin< FT >, Backflow_ee< FT >, Backflow_ee_kSpace, and Backflow_eI< FT >.

◆ evaluatePbyP() [2/6]

virtual void evaluatePbyP	(	const ParticleSet &	P,
		ParticleSet::ParticlePos &	newQP,
		const std::vector< int > &	index,
		HessMatrix &	Amat
	)

pure virtual

calculate quasi-particle coordinates and Amat after pbyp move

Implemented in Backflow_ee< FT >, Backflow_eI_spin< FT >, Backflow_eI< FT >, and Backflow_ee_kSpace.

◆ evaluatePbyP() [3/6]

virtual void evaluatePbyP	(	const ParticleSet &	P,
		ParticleSet::ParticlePos &	newQP,
		const std::vector< int > &	index,
		GradMatrix &	Bmat,
		HessMatrix &	Amat
	)

pure virtual

calculate quasi-particle coordinates, Bmat and Amat after pbyp move

Implemented in Backflow_ee< FT >, Backflow_eI_spin< FT >, Backflow_eI< FT >, and Backflow_ee_kSpace.

◆ evaluatePbyP() [4/6]

virtual void evaluatePbyP	(	const ParticleSet &	P,
		int	iat,
		ParticleSet::ParticlePos &	newQP
	)

pure virtual

calculate quasi-particle coordinates after pbyp move

Implemented in Backflow_ee< FT >, Backflow_eI_spin< FT >, Backflow_eI< FT >, and Backflow_ee_kSpace.

◆ evaluatePbyP() [5/6]

virtual void evaluatePbyP	(	const ParticleSet &	P,
		int	iat,
		ParticleSet::ParticlePos &	newQP,
		HessMatrix &	Amat
	)

pure virtual

calculate quasi-particle coordinates and Amat after pbyp move

Implemented in Backflow_ee< FT >, Backflow_eI_spin< FT >, Backflow_eI< FT >, and Backflow_ee_kSpace.

◆ evaluatePbyP() [6/6]

virtual void evaluatePbyP	(	const ParticleSet &	P,
		int	iat,
		ParticleSet::ParticlePos &	newQP,
		GradMatrix &	Bmat,
		HessMatrix &	Amat
	)

pure virtual

calculate quasi-particle coordinates, Bmat and Amat after pbyp move

Implemented in Backflow_ee< FT >, Backflow_eI_spin< FT >, Backflow_eI< FT >, and Backflow_ee_kSpace.

◆ evaluateWithDerivatives()

virtual void evaluateWithDerivatives	(	const ParticleSet &	P,
		ParticleSet &	QP,
		GradMatrix &	Bmat,
		HessMatrix &	Amat,
		GradMatrix &	Cmat,
		GradMatrix &	Ymat,
		HessArray &	Xmat
	)

pure virtual

calculate quasi-particle coordinates, Bmat and Amat calculate derivatives wrt to variational parameters

Implemented in Backflow_ee< FT >, Backflow_eI_spin< FT >, Backflow_eI< FT >, and Backflow_ee_kSpace.

◆ indexOffset()

virtual int indexOffset ( )

pure virtual

Implemented in Backflow_eI_spin< FT >, Backflow_ee_kSpace, Backflow_ee< FT >, and Backflow_eI< FT >.

◆ isOptimizable()

virtual bool isOptimizable ( )

pure virtual

Implemented in Backflow_ee_kSpace, Backflow_eI_spin< FT >, Backflow_ee< FT >, and Backflow_eI< FT >.

◆ makeClone()

virtual std::unique_ptr<BackflowFunctionBase> makeClone ( ParticleSet & tqp ) const

pure virtual

Implemented in Backflow_eI_spin< FT >, Backflow_ee_kSpace, Backflow_ee< FT >, and Backflow_eI< FT >.

◆ registerData()

virtual void registerData ( WFBufferType & buf )

pure virtual

Implemented in Backflow_eI_spin< FT >, Backflow_eI< FT >, Backflow_ee_kSpace, and Backflow_ee< FT >.

◆ reportStatus()

virtual void reportStatus ( std::ostream & os )

pure virtual

Implemented in Backflow_ee_kSpace, Backflow_eI_spin< FT >, Backflow_ee< FT >, and Backflow_eI< FT >.

◆ resetParameters()

virtual void resetParameters ( const opt_variables_type & active )

pure virtual

Implemented in Backflow_eI_spin< FT >, Backflow_ee_kSpace, Backflow_ee< FT >, and Backflow_eI< FT >.

◆ resize()

void resize	(	int	NT,
		int	NC
	)

inline

Definition at line 104 of file BackflowFunctionBase.h.

References BackflowFunctionBase::AIJ, BackflowFunctionBase::AIJ_temp, BackflowFunctionBase::BIJ, BackflowFunctionBase::BIJ_temp, BackflowFunctionBase::NumCenters, BackflowFunctionBase::NumTargets, Matrix< T, Alloc >::resize(), Vector< T, Alloc >::resize(), BackflowFunctionBase::UIJ, and BackflowFunctionBase::UIJ_temp.

Referenced by Backflow_ee< FT >::Backflow_ee(), Backflow_eI< FT >::Backflow_eI(), and Backflow_eI_spin< FT >::Backflow_eI_spin().

   {
     NumTargets = NT;
     NumCenters = NC;
     UIJ.resize(NumTargets, NumCenters);
     UIJ = 0;
     AIJ.resize(NumTargets, NumCenters);
     AIJ = 0;
     BIJ.resize(NumTargets, NumCenters);
     BIJ = 0;
     UIJ_temp.resize(NumCenters);
     UIJ_temp = 0;
     AIJ_temp.resize(NumCenters);
     AIJ_temp = 0;
     BIJ_temp.resize(NumCenters);
     BIJ_temp = 0;
   }

◆ restore()

virtual void restore	(	int	iat,
		int	UpdateType
	)

pure virtual

Implemented in Backflow_ee_kSpace, Backflow_ee< FT >, Backflow_eI_spin< FT >, and Backflow_eI< FT >.

◆ setParamIndex()

int setParamIndex ( int n )

inline

Definition at line 143 of file BackflowFunctionBase.h.

References BackflowFunctionBase::indexOfFirstParam, qmcplusplus::n, and BackflowFunctionBase::numParams.

   {
     indexOfFirstParam = n;
     return numParams;
   }

◆ updateBuffer()

void updateBuffer ( WFBufferType & buf )

inline

Definition at line 151 of file BackflowFunctionBase.h.

References BackflowFunctionBase::FirstOfA, BackflowFunctionBase::FirstOfB, BackflowFunctionBase::FirstOfU, BackflowFunctionBase::LastOfA, BackflowFunctionBase::LastOfB, BackflowFunctionBase::LastOfU, and PooledMemory< T_scalar, Alloc >::put().

   {
     buf.put(FirstOfU, LastOfU);
     buf.put(FirstOfA, LastOfA);
     buf.put(FirstOfB, LastOfB);
   }

Member Data Documentation

◆ AIJ

HessMatrix AIJ

Definition at line 84 of file BackflowFunctionBase.h.

Referenced by Backflow_eI< FT >::acceptMove(), Backflow_ee< FT >::acceptMove(), Backflow_ee_kSpace::acceptMove(), Backflow_eI_spin< FT >::acceptMove(), Backflow_eI< FT >::evaluate(), Backflow_ee< FT >::evaluate(), Backflow_eI< FT >::evaluatePbyP(), Backflow_ee< FT >::evaluatePbyP(), Backflow_eI< FT >::evaluateWithDerivatives(), Backflow_ee< FT >::evaluateWithDerivatives(), Backflow_ee< FT >::registerData(), Backflow_eI< FT >::registerData(), Backflow_eI_spin< FT >::registerData(), and BackflowFunctionBase::resize().

◆ AIJ_temp

HessVector AIJ_temp

Definition at line 85 of file BackflowFunctionBase.h.

Referenced by Backflow_eI< FT >::acceptMove(), Backflow_ee< FT >::acceptMove(), Backflow_eI_spin< FT >::acceptMove(), Backflow_eI< FT >::evaluatePbyP(), Backflow_ee< FT >::evaluatePbyP(), BackflowFunctionBase::resize(), Backflow_eI< FT >::restore(), Backflow_eI_spin< FT >::restore(), and Backflow_ee< FT >::restore().

◆ BIJ

GradMatrix BIJ

Definition at line 87 of file BackflowFunctionBase.h.

Referenced by Backflow_eI< FT >::acceptMove(), Backflow_ee< FT >::acceptMove(), Backflow_ee_kSpace::acceptMove(), Backflow_eI_spin< FT >::acceptMove(), Backflow_eI< FT >::evaluate(), Backflow_ee< FT >::evaluate(), Backflow_eI< FT >::evaluateWithDerivatives(), Backflow_ee< FT >::evaluateWithDerivatives(), Backflow_ee< FT >::registerData(), Backflow_eI< FT >::registerData(), Backflow_eI_spin< FT >::registerData(), and BackflowFunctionBase::resize().

◆ BIJ_temp

GradVector BIJ_temp

Definition at line 88 of file BackflowFunctionBase.h.

Referenced by Backflow_eI< FT >::acceptMove(), Backflow_ee< FT >::acceptMove(), Backflow_eI_spin< FT >::acceptMove(), BackflowFunctionBase::resize(), Backflow_eI< FT >::restore(), Backflow_eI_spin< FT >::restore(), and Backflow_ee< FT >::restore().

◆ CenterSys

ParticleSet& CenterSys

Reference to the center.

Definition at line 67 of file BackflowFunctionBase.h.

Referenced by BackflowFunctionBase::BackflowFunctionBase(), Backflow_eI< FT >::makeClone(), Backflow_ee_kSpace::makeClone(), and Backflow_eI_spin< FT >::makeClone().

◆ derivs

std::vector<TinyVector<RealType, 3> > derivs

Definition at line 77 of file BackflowFunctionBase.h.

Referenced by Backflow_eI< FT >::makeClone(), Backflow_ee< FT >::makeClone(), and Backflow_eI_spin< FT >::makeClone().

◆ FirstOfA

RealType* FirstOfA

Definition at line 91 of file BackflowFunctionBase.h.

Referenced by BackflowFunctionBase::copyFromBuffer(), Backflow_ee< FT >::registerData(), Backflow_eI< FT >::registerData(), Backflow_eI_spin< FT >::registerData(), and BackflowFunctionBase::updateBuffer().

◆ FirstOfB

RealType* FirstOfB

Definition at line 92 of file BackflowFunctionBase.h.

Referenced by BackflowFunctionBase::copyFromBuffer(), Backflow_ee< FT >::registerData(), Backflow_eI< FT >::registerData(), Backflow_eI_spin< FT >::registerData(), and BackflowFunctionBase::updateBuffer().

◆ FirstOfU

RealType* FirstOfU

Definition at line 90 of file BackflowFunctionBase.h.

Referenced by BackflowFunctionBase::copyFromBuffer(), Backflow_ee< FT >::registerData(), Backflow_eI< FT >::registerData(), Backflow_eI_spin< FT >::registerData(), and BackflowFunctionBase::updateBuffer().

◆ indexOfFirstParam

int indexOfFirstParam

Definition at line 75 of file BackflowFunctionBase.h.

Referenced by Backflow_eI< FT >::evaluateWithDerivatives(), Backflow_ee< FT >::evaluateWithDerivatives(), Backflow_eI< FT >::makeClone(), Backflow_eI_spin< FT >::makeClone(), and BackflowFunctionBase::setParamIndex().

◆ LastOfA

RealType * LastOfA

Definition at line 91 of file BackflowFunctionBase.h.

Referenced by BackflowFunctionBase::copyFromBuffer(), Backflow_ee< FT >::registerData(), Backflow_eI< FT >::registerData(), Backflow_eI_spin< FT >::registerData(), and BackflowFunctionBase::updateBuffer().

◆ LastOfB

RealType * LastOfB

Definition at line 92 of file BackflowFunctionBase.h.

Referenced by BackflowFunctionBase::copyFromBuffer(), Backflow_ee< FT >::registerData(), Backflow_eI< FT >::registerData(), Backflow_eI_spin< FT >::registerData(), and BackflowFunctionBase::updateBuffer().

◆ LastOfU

RealType * LastOfU

Definition at line 90 of file BackflowFunctionBase.h.

Referenced by BackflowFunctionBase::copyFromBuffer(), Backflow_ee< FT >::registerData(), Backflow_eI< FT >::registerData(), Backflow_eI_spin< FT >::registerData(), and BackflowFunctionBase::updateBuffer().

◆ myVars

opt_variables_type myVars

Definition at line 95 of file BackflowFunctionBase.h.

◆ NumCenters

int NumCenters

number of centers, e.g., ions

Definition at line 69 of file BackflowFunctionBase.h.

Referenced by Backflow_eI< FT >::Backflow_eI(), Backflow_eI_spin< FT >::Backflow_eI_spin(), BackflowFunctionBase::BackflowFunctionBase(), Backflow_eI< FT >::evaluate(), Backflow_eI< FT >::evaluateWithDerivatives(), Backflow_eI< FT >::makeClone(), Backflow_eI_spin< FT >::makeClone(), Backflow_eI< FT >::registerData(), Backflow_eI_spin< FT >::registerData(), and BackflowFunctionBase::resize().

◆ numParams

int numParams

Definition at line 73 of file BackflowFunctionBase.h.

Referenced by Backflow_eI< FT >::makeClone(), Backflow_ee< FT >::makeClone(), Backflow_eI_spin< FT >::makeClone(), and BackflowFunctionBase::setParamIndex().

◆ NumTargets

int NumTargets

number of quantum particles

Definition at line 71 of file BackflowFunctionBase.h.

Referenced by Backflow_ee< FT >::Backflow_ee(), Backflow_ee_kSpace::Backflow_ee_kSpace(), Backflow_eI< FT >::Backflow_eI(), Backflow_eI_spin< FT >::Backflow_eI_spin(), BackflowFunctionBase::BackflowFunctionBase(), Backflow_ee< FT >::evaluatePbyP(), Backflow_eI< FT >::makeClone(), Backflow_ee< FT >::makeClone(), Backflow_ee_kSpace::makeClone(), Backflow_eI_spin< FT >::makeClone(), Backflow_ee< FT >::registerData(), Backflow_eI< FT >::registerData(), Backflow_eI_spin< FT >::registerData(), Backflow_ee_kSpace::resize(), and BackflowFunctionBase::resize().

◆ UIJ

Matrix<PosType> UIJ

Definition at line 81 of file BackflowFunctionBase.h.

Referenced by Backflow_eI< FT >::acceptMove(), Backflow_ee< FT >::acceptMove(), Backflow_ee_kSpace::acceptMove(), Backflow_eI_spin< FT >::acceptMove(), Backflow_eI< FT >::evaluate(), Backflow_ee< FT >::evaluate(), Backflow_eI< FT >::evaluatePbyP(), Backflow_ee< FT >::evaluatePbyP(), Backflow_eI< FT >::evaluateWithDerivatives(), Backflow_ee< FT >::evaluateWithDerivatives(), Backflow_ee< FT >::registerData(), Backflow_eI< FT >::registerData(), Backflow_eI_spin< FT >::registerData(), and BackflowFunctionBase::resize().

◆ UIJ_temp

Vector<PosType> UIJ_temp

Definition at line 82 of file BackflowFunctionBase.h.

Referenced by Backflow_eI< FT >::acceptMove(), Backflow_ee< FT >::acceptMove(), Backflow_eI_spin< FT >::acceptMove(), Backflow_eI< FT >::evaluatePbyP(), Backflow_ee< FT >::evaluatePbyP(), BackflowFunctionBase::resize(), Backflow_eI< FT >::restore(), Backflow_eI_spin< FT >::restore(), and Backflow_ee< FT >::restore().

◆ uniqueFunctions

bool uniqueFunctions

Definition at line 94 of file BackflowFunctionBase.h.

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

/home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCWaveFunctions/Fermion/BackflowFunctionBase.h

Public Types

Public Member Functions

Public Attributes

Detailed Description

Member Typedef Documentation

◆ GradMatrix

◆ GradType

◆ GradVector

◆ HessArray

◆ HessMatrix

◆ HessType

◆ HessVector

◆ IndexType

◆ IndexVector

◆ PosType

◆ RealType

◆ Walker_t

◆ WFBufferType

Member Enumeration Documentation

◆ anonymous enum

◆ anonymous enum

Constructor & Destructor Documentation

◆ BackflowFunctionBase()

◆ ~BackflowFunctionBase()

Member Function Documentation

◆ acceptMove()

◆ checkInVariables()

◆ checkOutVariables()

◆ copyFromBuffer()

◆ evaluate() [1/2]

◆ evaluate() [2/2]

◆ evaluateBmatOnly()

◆ evaluatePbyP() [1/6]

◆ evaluatePbyP() [2/6]

◆ evaluatePbyP() [3/6]

◆ evaluatePbyP() [4/6]

◆ evaluatePbyP() [5/6]

◆ evaluatePbyP() [6/6]

◆ evaluateWithDerivatives()

◆ indexOffset()

◆ isOptimizable()

◆ makeClone()

◆ registerData()

◆ reportStatus()

◆ resetParameters()

◆ resize()

◆ restore()

◆ setParamIndex()

◆ updateBuffer()

Member Data Documentation

◆ AIJ

◆ AIJ_temp

◆ BIJ

◆ BIJ_temp

◆ CenterSys

◆ derivs

◆ FirstOfA

◆ FirstOfB

◆ FirstOfU

◆ indexOfFirstParam

◆ LastOfA

◆ LastOfB

◆ LastOfU

◆ myVars

◆ NumCenters

◆ numParams

◆ NumTargets

◆ UIJ

◆ UIJ_temp

◆ uniqueFunctions