Inheritance diagram for FakeFunctor< T >:

Collaboration diagram for FakeFunctor< T >:

Public Member Functions
	FakeFunctor (const std::string &my_name)
	default constructor More...

void	setCusp (real_type cusp) override

OptimizableFunctorBase *	makeClone () const override
	create a clone of this object More...

void	reset () override
	reset function More...

real_type	evaluate (real_type r) const

real_type	evaluate (real_type r, real_type &dudr, real_type &d2udr2) const

real_type	evaluate (real_type r, real_type &dudr, real_type &d2udr2, real_type &d3udr3) const

real_type	evaluateV (const int iat, const int iStart, const int iEnd, const T restrict _distArray, T restrict distArrayCompressed) const

void	evaluateVGL (const int iat, const int iStart, const int iEnd, const T distArray, T restrict valArray, T restrict gradArray, T restrict laplArray, T restrict distArrayCompressed, int restrict distIndices) const

real_type	f (real_type r) override

real_type	df (real_type r) override

bool	evaluateDerivatives (real_type r, std::vector< TinyVector< real_type, 3 >> &derivs) override

bool	evaluateDerivatives (real_type r, std::vector< real_type > &derivs) override
	compute derivatives with respect to variational parameters More...

bool	put (xmlNodePtr cur) override
	process xmlnode and registers variables to optimize More...

void	checkInVariablesExclusive (opt_variables_type &active) override
	check in variational parameters to the global list of parameters used by the optimizer. More...

void	checkOutVariables (const opt_variables_type &active) override
	check out variational optimizable variables More...

void	resetParametersExclusive (const opt_variables_type &active) override
	reset the parameters during optimizations. More...

Public Member Functions inherited from OptimizableFunctorBase
	OptimizableFunctorBase (const std::string &name="")
	default constructor More...

virtual	~OptimizableFunctorBase ()=default
	virtual destrutor More...

void	getIndex (const opt_variables_type &active)

virtual real_type	f (real_type r)=0
	evaluate the value at r More...

virtual real_type	df (real_type r)=0
	evaluate the first derivative More...

virtual void	setDensity (real_type n)
	empty virtual function to help builder classes More...

virtual void	setCusp (real_type cusp)
	empty virtual function to help builder classes More...

virtual void	setPeriodic (bool periodic)
	empty virtual function to help builder classes More...

virtual bool	evaluateDerivatives (real_type r, std::vector< qmcplusplus::TinyVector< real_type, 3 >> &derivs)

virtual bool	evaluateDerivatives (real_type r, std::vector< real_type > &derivs)

virtual void	setGridManager (bool willmanage)

virtual void	checkInVariablesExclusive (opt_variables_type &active)=0
	check in variational parameters to the global list of parameters used by the optimizer. More...

virtual void	resetParametersExclusive (const opt_variables_type &active)=0
	reset the parameters during optimizations More...

Public Member Functions inherited from OptimizableObject
	OptimizableObject (const std::string &name)

const std::string &	getName () const

bool	isOptimized () const

virtual void	reportStatus (std::ostream &os)
	print the state, e.g., optimizables More...

void	setOptimization (bool state)

virtual void	writeVariationalParameters (hdf_archive &hout)
	Write the variational parameters for this object to the VP HDF file. More...

virtual void	readVariationalParameters (hdf_archive &hin)
	Read the variational parameters for this object from the VP HDF file. More...

Static Public Member Functions
static void	mw_evaluateV (const int num_groups, const FakeFunctor const functors[], const int n_src, const int grp_ids, const int num_pairs, const int ref_at, const T mw_dist, const int dist_stride, T *mw_vals, Vector< char, OffloadPinnedAllocator< char >> &transfer_buffer)

static void	mw_evaluateVGL (const int iat, const int num_groups, const FakeFunctor const functors[], const int n_src, const int grp_ids, const int nw, T mw_vgl, const int n_padded, const T mw_dist, T *mw_cur_allu, Vector< char, OffloadPinnedAllocator< char >> &transfer_buffer)

static void	mw_updateVGL (const int iat, const std::vector< bool > &isAccepted, const int num_groups, const FakeFunctor const functors[], const int n_src, const int grp_ids, const int nw, T mw_vgl, const int n_padded, const T mw_dist, T mw_allUat, T mw_cur_allu, Vector< char, OffloadPinnedAllocator< char >> &transfer_buffer)

Public Attributes
std::vector< TinyVector< real_type, 3 > >	derivs_

Public Attributes inherited from OptimizableFunctorBase
real_type	cutoff_radius = 0.0
	maximum cutoff More...

opt_variables_type	myVars
	set of variables to be optimized More...

Additional Inherited Members
Public Types inherited from OptimizableFunctorBase
using	real_type = optimize::VariableSet::real_type
	typedef for real values More...

using	opt_variables_type = optimize::VariableSet
	typedef for variableset: this is going to be replaced More...

Detailed Description

template<class T>
struct qmcplusplus::FakeFunctor< T >

Definition at line 27 of file FakeFunctor.h.

Constructor & Destructor Documentation

◆ FakeFunctor()

FakeFunctor ( const std::string & my_name )

inline

default constructor

Definition at line 30 of file FakeFunctor.h.

Referenced by FakeFunctor< T >::makeClone().

30 : OptimizableFunctorBase(my_name) {}

qmcplusplus::OptimizableFunctorBase::OptimizableFunctorBase

OptimizableFunctorBase(const std::string &name="")

default constructor

Definition: OptimizableFunctorBase.h:58

Member Function Documentation

◆ checkInVariablesExclusive()

void checkInVariablesExclusive ( opt_variables_type & active )

inlineoverridevirtual

check in variational parameters to the global list of parameters used by the optimizer.

Parameters

active a super set of optimizable variables

The existing checkInVariables implementation in WFC/SPO/.. are inclusive and it calls checkInVariables of its members class A: public SPOSet {} class B: public WFC { A objA; checkInVariables() { objA.checkInVariables(); } };

With OptimizableObject, class A: public OptimizableObject {} class B: public OptimizableObject { A objA; checkInVariablesExclusive() { // should not call objA.checkInVariablesExclusive() if objA has been extracted; } }; A vector of OptimizableObject, will be created by calling extractOptimizableObjects(). All the checkInVariablesExclusive() will be called through this vector and thus checkInVariablesExclusive implementation should only handle non-OptimizableObject members.

Implements OptimizableObject.

Definition at line 134 of file FakeFunctor.h.

134 {}

◆ checkOutVariables()

void checkOutVariables ( const opt_variables_type & active )

inlineoverridevirtual

check out variational optimizable variables

Parameters

active a super set of optimizable variables

Implements OptimizableFunctorBase.

Definition at line 136 of file FakeFunctor.h.

136 {}

◆ df()

real_type df ( real_type r )

inlineoverride

Definition at line 104 of file FakeFunctor.h.

104 { return 0.0; }

◆ evaluate() [1/3]

real_type evaluate ( real_type r ) const

inline

Definition at line 38 of file FakeFunctor.h.

Referenced by FakeFunctor< T >::f().

38 { return 0.0; }

◆ evaluate() [2/3]

real_type evaluate	(	real_type	r,
		real_type &	dudr,
		real_type &	d2udr2
	)		const

inline

Definition at line 41 of file FakeFunctor.h.

   {
     dudr   = 0.0;
     d2udr2 = 0.0;
     return 0.0;
   }

◆ evaluate() [3/3]

real_type evaluate	(	real_type	r,
		real_type &	dudr,
		real_type &	d2udr2,
		real_type &	d3udr3
	)		const

inline

Definition at line 48 of file FakeFunctor.h.

   {
     dudr   = 0.0;
     d2udr2 = 0.0;
     d3udr3 = 0.0;
     return 0.0;
   }

◆ evaluateDerivatives() [1/2]

bool evaluateDerivatives	(	real_type	r,
		std::vector< TinyVector< real_type, 3 >> &	derivs
	)

inlineoverride

Definition at line 121 of file FakeFunctor.h.

References FakeFunctor< T >::derivs_.

   {
     derivs = derivs_;
     return true;
   }

◆ evaluateDerivatives() [2/2]

bool evaluateDerivatives	(	real_type	r,
		std::vector< real_type > &	derivs
	)

inlineoverride

compute derivatives with respect to variational parameters

Definition at line 129 of file FakeFunctor.h.

129 { return true; }

◆ evaluateV()

real_type evaluateV	(	const int	iat,
		const int	iStart,
		const int	iEnd,
		const T *restrict	_distArray,
		T *restrict	distArrayCompressed
	)		const

inline

Definition at line 57 of file FakeFunctor.h.

   {
     return 0.0;
   }

◆ evaluateVGL()

void evaluateVGL	(	const int	iat,
		const int	iStart,
		const int	iEnd,
		const T *	distArray,
		T *restrict	valArray,
		T *restrict	gradArray,
		T *restrict	laplArray,
		T *restrict	distArrayCompressed,
		int *restrict	distIndices
	)		const

inline

Definition at line 78 of file FakeFunctor.h.

87 {}

◆ f()

real_type f ( real_type r )

inlineoverride

Definition at line 102 of file FakeFunctor.h.

References FakeFunctor< T >::evaluate().

102 { return evaluate(r); }

qmcplusplus::FakeFunctor::evaluate

real_type evaluate(real_type r) const

Definition: FakeFunctor.h:38

◆ makeClone()

OptimizableFunctorBase* makeClone ( ) const

inlineoverridevirtual

create a clone of this object

Implements OptimizableFunctorBase.

Definition at line 34 of file FakeFunctor.h.

References FakeFunctor< T >::FakeFunctor().

34 { return new FakeFunctor(*this); }

qmcplusplus::FakeFunctor::FakeFunctor

FakeFunctor(const std::string &my_name)

default constructor

Definition: FakeFunctor.h:30

◆ mw_evaluateV()

static void mw_evaluateV	(	const int	num_groups,
		const FakeFunctor< T > *const	functors[],
		const int	n_src,
		const int *	grp_ids,
		const int	num_pairs,
		const int *	ref_at,
		const T *	mw_dist,
		const int	dist_stride,
		T *	mw_vals,
		Vector< char, OffloadPinnedAllocator< char >> &	transfer_buffer
	)

inlinestatic

Definition at line 66 of file FakeFunctor.h.

76 {}

◆ mw_evaluateVGL()

static void mw_evaluateVGL	(	const int	iat,
		const int	num_groups,
		const FakeFunctor< T > *const	functors[],
		const int	n_src,
		const int *	grp_ids,
		const int	nw,
		T *	mw_vgl,
		const int	n_padded,
		const T *	mw_dist,
		T *	mw_cur_allu,
		Vector< char, OffloadPinnedAllocator< char >> &	transfer_buffer
	)

inlinestatic

Definition at line 89 of file FakeFunctor.h.

100 {}

◆ mw_updateVGL()

static void mw_updateVGL	(	const int	iat,
		const std::vector< bool > &	isAccepted,
		const int	num_groups,
		const FakeFunctor< T > *const	functors[],
		const int	n_src,
		const int *	grp_ids,
		const int	nw,
		T *	mw_vgl,
		const int	n_padded,
		const T *	mw_dist,
		T *	mw_allUat,
		T *	mw_cur_allu,
		Vector< char, OffloadPinnedAllocator< char >> &	transfer_buffer
	)

inlinestatic

Definition at line 106 of file FakeFunctor.h.

119 {}

◆ put()

bool put ( xmlNodePtr cur )

inlineoverridevirtual

process xmlnode and registers variables to optimize

Parameters

cur	xmlNode for a functor

Implements OptimizableFunctorBase.

Definition at line 131 of file FakeFunctor.h.

131 { return true; }

◆ reset()

void reset ( )

inlineoverridevirtual

reset function

Implements OptimizableFunctorBase.

Definition at line 36 of file FakeFunctor.h.

36 {}

◆ resetParametersExclusive()

void resetParametersExclusive ( const opt_variables_type & active )

inlineoverridevirtual

reset the parameters during optimizations.

Exclusive, see checkInVariablesExclusive

Implements OptimizableObject.

Definition at line 138 of file FakeFunctor.h.

138 {}

◆ setCusp()

void setCusp ( real_type cusp )

inlineoverride

Definition at line 32 of file FakeFunctor.h.

32 {}

Member Data Documentation

◆ derivs_

std::vector<TinyVector<real_type, 3> > derivs_

Definition at line 141 of file FakeFunctor.h.

Referenced by FakeFunctor< T >::evaluateDerivatives().

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

/home/pk7/projects/qmc/for_cron_doxygen/qmcpack/src/QMCWaveFunctions/Jastrow/FakeFunctor.h

Public Member Functions

Static Public Member Functions

Public Attributes

Additional Inherited Members

Detailed Description

template<class T> struct qmcplusplus::FakeFunctor< T >

Constructor & Destructor Documentation

◆ FakeFunctor()

Member Function Documentation

◆ checkInVariablesExclusive()

◆ checkOutVariables()

◆ df()

◆ evaluate() [1/3]

◆ evaluate() [2/3]

◆ evaluate() [3/3]

◆ evaluateDerivatives() [1/2]

◆ evaluateDerivatives() [2/2]

◆ evaluateV()

◆ evaluateVGL()

◆ f()

◆ makeClone()

◆ mw_evaluateV()

◆ mw_evaluateVGL()

◆ mw_updateVGL()

◆ put()

◆ reset()

◆ resetParametersExclusive()

◆ setCusp()

Member Data Documentation

◆ derivs_

template<class T>
struct qmcplusplus::FakeFunctor< T >