madness::CompositeFactory< T, NDIM, MDIM > Class Template Reference

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 >:

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)
std::shared_ptr< FunctionFunctorInterface< T, NDIM > >	get_functor () const
	return the functor; override this if the functor needs deferred construction
CompositeFactory &	ket (const Function< T, NDIM > &f)
	provide directly the NDIM (6D) pair function ket
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
CompositeFactory &	V_for_particle2 (const Function< T, MDIM > &f)
	a one-particle potential, acting on particle 2
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
template<typename opT >
std::enable_if< notstd::is_base_of< FunctionFunctorInterface< T, NDIM >, opT >::value, FunctionFactory & >::type	functor (const opT &op)
	pass in a functor that is not derived from FunctionFunctorInterface
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
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
std::vector< implT_ptr_hidim >	_ket
std::vector< std::shared_ptr< FunctionImpl< T, MDIM > > >	_particle1
	supposedly particle 1
std::vector< std::shared_ptr< FunctionImpl< T, MDIM > > >	_particle2
	supposedly particle 2
std::shared_ptr< FunctionImpl< T, MDIM > >	_v1
	supposedly a potential for particle 1
std::shared_ptr< FunctionImpl< T, MDIM > >	_v2
	supposedly a potential for particle 2

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, madness::f, and madness::CompositeFactory< T, NDIM, MDIM >::self().

Referenced by apply_U_mix(), madness::MP2::compute_energy(), compute_energy(), 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_fKphi0(), madness::MP2::make_KffKphi0(), 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, madness::f, and madness::CompositeFactory< T, NDIM, MDIM >::self().

Referenced by apply_U_mix(), apply_U_ncf(), apply_V(), compute_energy(), compute_energy(), compute_R2f2_psi(), madness::CCPairFunction< T, NDIM >::convert_to_pure_no_op_inplace(), madness::CCPairFunction< T, NDIM >::inner_internal(), main(), madness::MP2::multiply_with_0th_order_Hamiltonian(), 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, madness::f, and madness::CompositeFactory< T, NDIM, MDIM >::self().

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, madness::f, and madness::CompositeFactory< T, NDIM, MDIM >::self().

Referenced by madness::MP2::compute_energy(), 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::JK1phi0_on_demand(), madness::MP2::JK2phi0_on_demand(), madness::MP2::make_fKphi0(), madness::MP2::make_KffKphi0(), madness::MP2::make_Uphi0(), madness::CCPairFunction< T, NDIM >::make_xy_u(), madness::MP2::nemo0_on_demand(), madness::MP2::phi0_on_demand(), 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, madness::f, and madness::CompositeFactory< T, NDIM, MDIM >::self().

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, madness::f, and madness::CompositeFactory< T, NDIM, MDIM >::self().

Referenced by madness::MP2::compute_energy(), 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::JK1phi0_on_demand(), madness::MP2::JK2phi0_on_demand(), madness::MP2::make_fKphi0(), madness::MP2::make_KffKphi0(), madness::MP2::make_Uphi0(), madness::CCPairFunction< T, NDIM >::make_xy_u(), madness::MP2::nemo0_on_demand(), madness::MP2::phi0_on_demand(), 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, madness::f, and madness::CompositeFactory< T, NDIM, MDIM >::self().

self()

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

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

inline

Referenced by madness::CompositeFactory< T, NDIM, MDIM >::g12(), madness::CompositeFactory< T, NDIM, MDIM >::ket(), madness::CompositeFactory< T, NDIM, MDIM >::ket(), madness::CompositeFactory< T, NDIM, MDIM >::particle1(), madness::CompositeFactory< T, NDIM, MDIM >::particle1(), madness::CompositeFactory< T, NDIM, MDIM >::particle2(), madness::CompositeFactory< T, NDIM, MDIM >::particle2(), madness::CompositeFactory< T, NDIM, MDIM >::V_for_particle1(), and madness::CompositeFactory< T, NDIM, MDIM >::V_for_particle2().

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, madness::f, and madness::CompositeFactory< T, NDIM, MDIM >::self().

Referenced by apply_U_mix(), apply_U_ncf(), apply_V(), compute_energy(), compute_energy(), compute_R2f2_psi(), main(), madness::MP2::multiply_with_0th_order_Hamiltonian(), 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, madness::f, and madness::CompositeFactory< T, NDIM, MDIM >::self().

Referenced by apply_U_mix(), apply_U_ncf(), apply_V(), compute_energy(), compute_energy(), compute_R2f2_psi(), main(), madness::MP2::multiply_with_0th_order_Hamiltonian(), reconstruct_psi(), solve(), test_adaptive_tree(), and test_compress().

Friends And Related Symbol 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(), madness::CompositeFactory< T, NDIM, MDIM >::ket(), 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(), madness::CompositeFactory< T, NDIM, MDIM >::particle1(), 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(), madness::CompositeFactory< T, NDIM, MDIM >::particle2(), 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().

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

• function_factory.h