madness::TwoElectronFactory Class Reference

factory for generating TwoElectronInterfaces More...

#include <function_factory.h>

Inheritance diagram for madness::TwoElectronFactory:

Collaboration diagram for madness::TwoElectronFactory:

Public Member Functions
	TwoElectronFactory (World &world)
TwoElectronFactory &	dcut (double dcut)
	the smallest length scale to be represented (aka lo) More...
TwoElectronFactory &	thresh (double thresh)
	the requested precision More...
TwoElectronFactory &	gamma (double g)
	the exponent of a slater function More...
TwoElectronFactory &	f12 ()
	return the operator (1 - exp(-gamma x) / (2 gamma) More...
TwoElectronFactory &	slater ()
	return the operator (1 - exp(-gamma x) / (2 gamma) More...
InterfacePtr	get_functor () const
	return the functor; override this if the functor needs deferred construction More...
TwoElectronFactory &	self ()
Public Member Functions inherited from madness::FunctionFactory< double, 6 >
	FunctionFactory (World &world)
virtual	~FunctionFactory ()
FunctionFactory &	functor (const std::shared_ptr< FunctionFunctorInterface< double, NDIM > > &f)
FunctionFactory &	functor2 (const opT &op)
FunctionFactory &	no_functor ()
FunctionFactory &	f (double(*f)(const coordT &))
virtual FunctionFactory &	k (int k)
FunctionFactory &	initial_level (int initial_level)
FunctionFactory &	max_refine_level (int max_refine_level)
FunctionFactory &	truncate_mode (int truncate_mode)
FunctionFactory &	refine (bool refine=true)
FunctionFactory &	norefine (bool norefine=true)
FunctionFactory &	empty ()
FunctionFactory &	autorefine ()
FunctionFactory &	noautorefine ()
FunctionFactory &	truncate_on_project ()
FunctionFactory &	notruncate_on_project ()
FunctionFactory &	fence (bool fence=true)
FunctionFactory &	nofence ()
virtual FunctionFactory &	is_on_demand ()
FunctionFactory &	pmap (const std::shared_ptr< WorldDCPmapInterface< Key< NDIM > > > &pmap)
int	get_k () const
double	get_thresh () const
World &	get_world () const
FunctionFactory &	self ()
	implement this in all derived classes for correct chaining More...

Protected Types
enum	operatortype {   coulomb_, slater_, f12_, bsh_,   fg_ }
typedef std::shared_ptr < FunctionFunctorInterface < double, 6 > >	InterfacePtr

Protected Attributes
operatortype	type_
InterfacePtr	interface_
	the interface providing the actual coefficients More...
double	dcut_
	cutoff radius for 1/r12, aka regularization More...
double	gamma_
BoundaryConditions< 6 >	bc_
Protected Attributes inherited from madness::FunctionFactory< double, 6 >
World &	_world
int	_k
double	_thresh
int	_initial_level
int	_max_refine_level
int	_truncate_mode
bool	_refine
bool	_empty
bool	_autorefine
bool	_truncate_on_project
bool	_fence
bool	_is_on_demand
std::shared_ptr < WorldDCPmapInterface< Key < NDIM > > >	_pmap

Detailed Description

factory for generating TwoElectronInterfaces

Member Typedef Documentation

typedef std::shared_ptr<FunctionFunctorInterface<double, 6> > madness::TwoElectronFactory::InterfacePtr

protected

Member Enumeration Documentation

enum madness::TwoElectronFactory::operatortype

protected

Enumerator
coulomb_
slater_
f12_
bsh_
fg_

Constructor & Destructor Documentation

madness::TwoElectronFactory::TwoElectronFactory ( World &  world )

inline

References madness::FunctionDefaults< NDIM >::get_k(), and madness::FunctionDefaults< NDIM >::get_thresh().

Member Function Documentation

TwoElectronFactory& madness::TwoElectronFactory::dcut ( double  dcut )

inline

the smallest length scale to be represented (aka lo)

References dcut_.

Referenced by compute_energy(), and test_U_el().

TwoElectronFactory& madness::TwoElectronFactory::f12 ( )

inline

return the operator (1 - exp(-gamma x) / (2 gamma)

References f12_, and type_.

TwoElectronFactory& madness::TwoElectronFactory::gamma ( double  g )

inline

the exponent of a slater function

References madness::g, and gamma_.

InterfacePtr madness::TwoElectronFactory::get_functor ( ) const

inlinevirtual

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

Reimplemented from madness::FunctionFactory< double, 6 >.

References bc_, coulomb_, dcut_, f12_, gamma_, interface_, MADNESS_EXCEPTION, slater_, and type_.

TwoElectronFactory& madness::TwoElectronFactory::self ( )

inline

TwoElectronFactory& madness::TwoElectronFactory::slater ( )

inline

return the operator (1 - exp(-gamma x) / (2 gamma)

References slater_, and type_.

TwoElectronFactory& madness::TwoElectronFactory::thresh ( double  thresh )

inlinevirtual

the requested precision

Reimplemented from madness::FunctionFactory< double, 6 >.

Member Data Documentation

BoundaryConditions<6> madness::TwoElectronFactory::bc_

protected

Referenced by get_functor().

double madness::TwoElectronFactory::dcut_

protected

cutoff radius for 1/r12, aka regularization

Referenced by dcut(), and get_functor().

double madness::TwoElectronFactory::gamma_

protected

Referenced by gamma(), and get_functor().

InterfacePtr madness::TwoElectronFactory::interface_

protected

the interface providing the actual coefficients

Referenced by get_functor().

operatortype madness::TwoElectronFactory::type_

protected

Referenced by f12(), get_functor(), and slater().

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

• function_factory.h