Factory for facile setup of a CompositeFunctorInterface and its FuncImpl. More...

#include <function_factory.h>

Inheritance diagram for madness::CompositeFactory< T, NDIM, MDIM >:

Collaboration diagram for madness::CompositeFactory< T, NDIM, MDIM >:

[legend]

Public Types
typedef std::shared_ptr< FunctionImpl< T, NDIM > >	implT_ptr_hidim

typedef std::shared_ptr< FunctionImpl< T, MDIM > >	implT_ptr_lodim

Public Member Functions
	CompositeFactory (World &world)

CompositeFactory &	g12 (const Function< T, NDIM > &f)
	g12 is the interaction potential (6D) More...

std::shared_ptr< FunctionFunctorInterface< T, NDIM > >	get_functor () const
	return the functor; override this if the functor needs deferred construction More...

CompositeFactory &	ket (const Function< T, NDIM > &f)
	provide directly the NDIM (6D) pair function ket More...

CompositeFactory &	ket (const std::vector< Function< T, NDIM >> &vf)

CompositeFactory &	particle1 (const Function< T, MDIM > &f)

CompositeFactory &	particle1 (const std::vector< Function< T, MDIM >> &vf)

CompositeFactory &	particle2 (const Function< T, MDIM > &f)

CompositeFactory &	particle2 (const std::vector< Function< T, MDIM >> &vf)

CompositeFactory &	self ()

CompositeFactory &	V_for_particle1 (const Function< T, MDIM > &f)
	a one-particle potential, acting on particle 1 More...

CompositeFactory &	V_for_particle2 (const Function< T, MDIM > &f)
	a one-particle potential, acting on particle 2 More...

Public Member Functions inherited from madness::FunctionFactory< T, NDIM >
	FunctionFactory (World &world)

virtual	~FunctionFactory ()

FunctionFactory &	autorefine ()

FunctionFactory &	compressed (bool value=true)

FunctionFactory &	empty ()

FunctionFactory &	f (T(*f)(const coordT &))

FunctionFactory &	fence (bool fence=true)

template<typename opT >
std::enable_if< std::is_base_of< FunctionFunctorInterface< T, NDIM >, opT >::value, FunctionFactory & >::type	functor (const opT &op)
	pass in a functor that is derived from FunctionFunctorInterface More...

template<typename opT >
std::enable_if< not std::is_base_of< FunctionFunctorInterface< T, NDIM >, opT >::value, FunctionFactory & >::type	functor (const opT &op)
	pass in a functor that is not derived from FunctionFunctorInterface More...

FunctionFactory &	functor (const std::shared_ptr< FunctionFunctorInterface< T, NDIM > > &f)

int	get_k () const

double	get_thresh () const

World &	get_world () const

FunctionFactory &	initial_level (int initial_level)

virtual FunctionFactory &	is_on_demand ()

virtual FunctionFactory &	k (int k)

FunctionFactory &	max_refine_level (int max_refine_level)

FunctionFactory &	no_functor ()

FunctionFactory &	noautorefine ()

FunctionFactory &	nofence ()

FunctionFactory &	norefine (bool norefine=true)

FunctionFactory &	notruncate_on_project ()

FunctionFactory &	pmap (const std::shared_ptr< WorldDCPmapInterface< Key< NDIM > > > &pmap)

FunctionFactory &	refine (bool refine=true)

FunctionFactory &	self ()
	implement this in all derived classes for correct chaining More...

FunctionFactory &	special_level (int special_level)

FunctionFactory &	special_points (std::vector< Vector< double, NDIM > > &special_points)

virtual FunctionFactory &	thresh (double thresh)

FunctionFactory &	truncate_mode (int truncate_mode)

FunctionFactory &	truncate_on_project ()

Public Attributes
std::shared_ptr< FunctionImpl< T, NDIM > >	_g12
	supposedly a interaction potential More...

std::vector< implT_ptr_hidim >	_ket

std::vector< std::shared_ptr< FunctionImpl< T, MDIM > > >	_particle1
	supposedly particle 1 More...

std::vector< std::shared_ptr< FunctionImpl< T, MDIM > > >	_particle2
	supposedly particle 2 More...

std::shared_ptr< FunctionImpl< T, MDIM > >	_v1
	supposedly a potential for particle 1 More...

std::shared_ptr< FunctionImpl< T, MDIM > >	_v2
	supposedly a potential for particle 2 More...

Private Attributes
std::shared_ptr< CompositeFunctorInterface< T, NDIM, MDIM > >	_func

Friends
class	CompositeFunctorInterface< T, NDIM, MDIM >

Additional Inherited Members
Protected Attributes inherited from madness::FunctionFactory< T, NDIM >
bool	_autorefine

bool	_empty

bool	_fence

int	_initial_level = FunctionDefaults<NDIM>::get_initial_level()

int	_k

int	_max_refine_level

std::shared_ptr< WorldDCPmapInterface< Key< NDIM > > >	_pmap

bool	_refine

int	_special_level = FunctionDefaults<NDIM>::get_special_level()

std::vector< Vector< double, NDIM > >	_special_points

double	_thresh

TreeState	_tree_state

int	_truncate_mode

bool	_truncate_on_project

World &	_world

Detailed Description

template<typename T, std::size_t NDIM, std::size_t MDIM>
class madness::CompositeFactory< T, NDIM, MDIM >

Factory for facile setup of a CompositeFunctorInterface and its FuncImpl.

for the concept of a Factory see base class FunctionFactory here we need to provide two different dimensions, since the main purpose of this is to set up a pair function (6D), consisting of orbitals (3D), and also one- and two-electron potentials

This Factory constructs a FuncImpl, and also the functor to it.

NOTE: pass in only copies of functions, since use in here will corrupt the tree structure and functions will not pass the VERIFY test after this.

Member Typedef Documentation

◆ implT_ptr_hidim

template<typename T , std::size_t NDIM, std::size_t MDIM>

typedef std::shared_ptr<FunctionImpl<T, NDIM> > madness::CompositeFactory< T, NDIM, MDIM >::implT_ptr_hidim

◆ implT_ptr_lodim

template<typename T , std::size_t NDIM, std::size_t MDIM>

typedef std::shared_ptr<FunctionImpl<T, MDIM> > madness::CompositeFactory< T, NDIM, MDIM >::implT_ptr_lodim

Constructor & Destructor Documentation

◆ CompositeFactory()

template<typename T , std::size_t NDIM, std::size_t MDIM>

madness::CompositeFactory< T, NDIM, MDIM >::CompositeFactory ( World & world )

inline

References madness::on_demand.

Member Function Documentation

◆ g12()

template<typename T , std::size_t NDIM, std::size_t MDIM>

CompositeFactory& madness::CompositeFactory< T, NDIM, MDIM >::g12 ( const Function< T, NDIM > & f )

inline

g12 is the interaction potential (6D)

References madness::CompositeFactory< T, NDIM, MDIM >::_g12, and madness::FunctionFactory< T, NDIM >::f().

Referenced by apply_U_mix(), compute_energy(), compute_R2f2_psi(), madness::CCPairFunction< T, NDIM >::convert_to_pure_no_op_inplace(), madness::CCPairFunction< T, NDIM >::inner_internal(), main(), madness::MP2::make_Uphi0(), madness::CCPairFunction< T, NDIM >::op_pure_to_pure(), reconstruct_psi(), solve(), test_adaptive_tree(), test_Kcommutator(), test_multiply(), test_U_el(), and test_vector_composite().

◆ get_functor()

template<typename T , std::size_t NDIM, std::size_t MDIM>

std::shared_ptr<FunctionFunctorInterface<T, NDIM> > madness::CompositeFactory< T, NDIM, MDIM >::get_functor ( ) const

inlinevirtual

return the functor; override this if the functor needs deferred construction

Reimplemented from madness::FunctionFactory< T, NDIM >.

References madness::CompositeFactory< T, NDIM, MDIM >::_func, madness::CompositeFactory< T, NDIM, MDIM >::_g12, madness::CompositeFactory< T, NDIM, MDIM >::_ket, madness::CompositeFactory< T, NDIM, MDIM >::_particle1, madness::CompositeFactory< T, NDIM, MDIM >::_particle2, madness::CompositeFactory< T, NDIM, MDIM >::_v1, and madness::CompositeFactory< T, NDIM, MDIM >::_v2.

◆ ket() [1/2]

template<typename T , std::size_t NDIM, std::size_t MDIM>

CompositeFactory& madness::CompositeFactory< T, NDIM, MDIM >::ket ( const Function< T, NDIM > & f )

inline

provide directly the NDIM (6D) pair function ket

References madness::CompositeFactory< T, NDIM, MDIM >::_ket, and madness::FunctionFactory< T, NDIM >::f().

Referenced by apply_U_mix(), apply_U_ncf(), apply_V(), compute_energy(), compute_R2f2_psi(), madness::CCPairFunction< T, NDIM >::convert_to_pure_no_op_inplace(), madness::CCPairFunction< T, NDIM >::inner_internal(), main(), madness::CCPairFunction< T, NDIM >::op_pure_to_pure(), reconstruct_psi(), solve(), test_adaptive_tree(), test_compress(), test_multiply(), test_recursive_application(), test_U_el(), and test_vector_composite().

◆ ket() [2/2]

template<typename T , std::size_t NDIM, std::size_t MDIM>

CompositeFactory& madness::CompositeFactory< T, NDIM, MDIM >::ket ( const std::vector< Function< T, NDIM >> & vf )

inline

References madness::CompositeFactory< T, NDIM, MDIM >::_ket, and madness::FunctionFactory< T, NDIM >::f().

◆ particle1() [1/2]

template<typename T , std::size_t NDIM, std::size_t MDIM>

CompositeFactory& madness::CompositeFactory< T, NDIM, MDIM >::particle1 ( const Function< T, MDIM > & f )

inline

provide particle 1, used with particle 2 to set up a pair function by direct product

References madness::CompositeFactory< T, NDIM, MDIM >::_particle1, and madness::FunctionFactory< T, NDIM >::f().

Referenced by compute_energy(), madness::CCPairFunction< T, NDIM >::convert_to_pure_no_op_inplace(), madness::StrongOrthogonalityProjector< T, NDIM >::get_vectors_for_outer_product(), madness::CCPairFunction< T, NDIM >::inner_internal(), madness::MP2::make_Uphi0(), madness::CCPairFunction< T, NDIM >::make_xy_u(), test_Kcommutator(), test_multiply(), test_tight_diffuse(), and test_vector_composite().

◆ particle1() [2/2]

template<typename T , std::size_t NDIM, std::size_t MDIM>

CompositeFactory& madness::CompositeFactory< T, NDIM, MDIM >::particle1 ( const std::vector< Function< T, MDIM >> & vf )

inline

provide particle 1, used with particle 2 to set up a pair function by direct product

References madness::CompositeFactory< T, NDIM, MDIM >::_particle1, and madness::FunctionFactory< T, NDIM >::f().

◆ particle2() [1/2]

template<typename T , std::size_t NDIM, std::size_t MDIM>

CompositeFactory& madness::CompositeFactory< T, NDIM, MDIM >::particle2 ( const Function< T, MDIM > & f )

inline

provide particle 2, used with particle 1 to set up a pair function by direct product

References madness::CompositeFactory< T, NDIM, MDIM >::_particle2, and madness::FunctionFactory< T, NDIM >::f().

Referenced by compute_energy(), madness::CCPairFunction< T, NDIM >::convert_to_pure_no_op_inplace(), madness::StrongOrthogonalityProjector< T, NDIM >::get_vectors_for_outer_product(), madness::CCPairFunction< T, NDIM >::inner_internal(), madness::MP2::make_Uphi0(), madness::CCPairFunction< T, NDIM >::make_xy_u(), test_Kcommutator(), test_multiply(), test_tight_diffuse(), and test_vector_composite().

◆ particle2() [2/2]

template<typename T , std::size_t NDIM, std::size_t MDIM>

CompositeFactory& madness::CompositeFactory< T, NDIM, MDIM >::particle2 ( const std::vector< Function< T, MDIM >> & vf )

inline

provide particle 2, used with particle 1 to set up a pair function by direct product

References madness::CompositeFactory< T, NDIM, MDIM >::_particle2, and madness::FunctionFactory< T, NDIM >::f().

◆ self()

template<typename T , std::size_t NDIM, std::size_t MDIM>

CompositeFactory& madness::CompositeFactory< T, NDIM, MDIM >::self ( )

inline

◆ V_for_particle1()

template<typename T , std::size_t NDIM, std::size_t MDIM>

CompositeFactory& madness::CompositeFactory< T, NDIM, MDIM >::V_for_particle1 ( const Function< T, MDIM > & f )

inline

a one-particle potential, acting on particle 1

References madness::CompositeFactory< T, NDIM, MDIM >::_v1, and madness::FunctionFactory< T, NDIM >::f().

Referenced by apply_U_mix(), apply_U_ncf(), apply_V(), compute_energy(), compute_R2f2_psi(), main(), reconstruct_psi(), solve(), test_adaptive_tree(), test_compress(), test_multiply(), and test_recursive_application().

◆ V_for_particle2()

template<typename T , std::size_t NDIM, std::size_t MDIM>

CompositeFactory& madness::CompositeFactory< T, NDIM, MDIM >::V_for_particle2 ( const Function< T, MDIM > & f )

inline

a one-particle potential, acting on particle 2

References madness::CompositeFactory< T, NDIM, MDIM >::_v2, and madness::FunctionFactory< T, NDIM >::f().

Referenced by apply_U_mix(), apply_U_ncf(), apply_V(), compute_energy(), compute_R2f2_psi(), main(), reconstruct_psi(), solve(), test_adaptive_tree(), and test_compress().

Friends And Related Function Documentation

◆ CompositeFunctorInterface< T, NDIM, MDIM >

template<typename T , std::size_t NDIM, std::size_t MDIM>

friend class CompositeFunctorInterface< T, NDIM, MDIM >

friend

Member Data Documentation

◆ _func

template<typename T , std::size_t NDIM, std::size_t MDIM>

std::shared_ptr<CompositeFunctorInterface<T, NDIM, MDIM> > madness::CompositeFactory< T, NDIM, MDIM >::_func

private

Referenced by madness::CompositeFactory< T, NDIM, MDIM >::get_functor().

◆ _g12

template<typename T , std::size_t NDIM, std::size_t MDIM>

std::shared_ptr<FunctionImpl<T, NDIM> > madness::CompositeFactory< T, NDIM, MDIM >::_g12

supposedly a interaction potential

Referenced by madness::CompositeFactory< T, NDIM, MDIM >::g12(), and madness::CompositeFactory< T, NDIM, MDIM >::get_functor().

◆ _ket

template<typename T , std::size_t NDIM, std::size_t MDIM>

std::vector<implT_ptr_hidim> madness::CompositeFactory< T, NDIM, MDIM >::_ket

Referenced by madness::CompositeFactory< T, NDIM, MDIM >::get_functor(), and madness::CompositeFactory< T, NDIM, MDIM >::ket().

◆ _particle1

template<typename T , std::size_t NDIM, std::size_t MDIM>

std::vector<std::shared_ptr<FunctionImpl<T, MDIM> > > madness::CompositeFactory< T, NDIM, MDIM >::_particle1

supposedly particle 1

Referenced by madness::CompositeFactory< T, NDIM, MDIM >::get_functor(), and madness::CompositeFactory< T, NDIM, MDIM >::particle1().

◆ _particle2

template<typename T , std::size_t NDIM, std::size_t MDIM>

std::vector<std::shared_ptr<FunctionImpl<T, MDIM> > > madness::CompositeFactory< T, NDIM, MDIM >::_particle2

supposedly particle 2

Referenced by madness::CompositeFactory< T, NDIM, MDIM >::get_functor(), and madness::CompositeFactory< T, NDIM, MDIM >::particle2().

◆ _v1

template<typename T , std::size_t NDIM, std::size_t MDIM>

std::shared_ptr<FunctionImpl<T, MDIM> > madness::CompositeFactory< T, NDIM, MDIM >::_v1

supposedly a potential for particle 1

Referenced by madness::CompositeFactory< T, NDIM, MDIM >::get_functor(), and madness::CompositeFactory< T, NDIM, MDIM >::V_for_particle1().

◆ _v2

template<typename T , std::size_t NDIM, std::size_t MDIM>

std::shared_ptr<FunctionImpl<T, MDIM> > madness::CompositeFactory< T, NDIM, MDIM >::_v2

supposedly a potential for particle 2

Referenced by madness::CompositeFactory< T, NDIM, MDIM >::get_functor(), and madness::CompositeFactory< T, NDIM, MDIM >::V_for_particle2().

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

function_factory.h

Public Types

Public Member Functions

Public Attributes

Private Attributes

Friends

Additional Inherited Members

Detailed Description

template<typename T, std::size_t NDIM, std::size_t MDIM> class madness::CompositeFactory< T, NDIM, MDIM >

Member Typedef Documentation

◆ implT_ptr_hidim

◆ implT_ptr_lodim

Constructor & Destructor Documentation

◆ CompositeFactory()

Member Function Documentation

◆ g12()

◆ get_functor()

◆ ket() [1/2]

◆ ket() [2/2]

◆ particle1() [1/2]

◆ particle1() [2/2]

◆ particle2() [1/2]

◆ particle2() [2/2]

◆ self()

◆ V_for_particle1()

◆ V_for_particle2()

Friends And Related Function Documentation

◆ CompositeFunctorInterface< T, NDIM, MDIM >

Member Data Documentation

◆ _func

◆ _g12

◆ _ket

◆ _particle1

◆ _particle2

◆ _v1

◆ _v2

template<typename T, std::size_t NDIM, std::size_t MDIM>
class madness::CompositeFactory< T, NDIM, MDIM >