NullCorrelationFactor stands for no correlation factor; only for test. More...

#include <chemistry/qc/mbptr12/r12technology.h>

Inheritance diagram for sc::R12Technology::NullCorrelationFactor:

Public Member Functions
bool	equiv (const Ref< CorrelationFactor > &cf) const
	Implementation of CorrelationFactor::equiv()

unsigned int	max_num_tbint_types () const
	Implementation of CorrelationFactor::max_num_tbint_types()

double	value (unsigned int c, double r12) const
	Implementation of CorrelationFactor::value()

Ref< TwoBodyIntDescr >	tbintdescr (const Ref< Integral > &IF, unsigned int f) const
	Overload of CorrelationFactor::tbintdescr(f)

Ref< TwoBodyIntDescr >	tbintdescr (const Ref< Integral > &IF, unsigned int fbra, unsigned int fket) const
	Overload of CorrelationFactor::tbintdescr(fbra,fket)

Public Member Functions inherited from sc::R12Technology::CorrelationFactor
	CorrelationFactor (const std::string &label, const Ref< GeminalDescriptor > &geminaldescriptor)
	Definitions of primitive and contracted Geminals.

const std::string &	label () const
	Returns label.

virtual unsigned int	nfunctions () const
	Returns the number of contracted two-particle functions in the set.

virtual unsigned int	nprimitives (unsigned int c) const
	Returns the number of primitive functions in contraction c.

virtual TwoBodyOper::type	tbint_type_eri () const
	Returns TwoBodyOper::type corresponding to electron repulsion integrals.

virtual TwoBodyOper::type	tbint_type_f12 () const
	Returns TwoBodyOper::type corresponding to integrals over correlation operator.

virtual TwoBodyOper::type	tbint_type_t1f12 () const
	Returns TwoBodyOper::type corresponding to integrals over [T1,f12].

virtual TwoBodyOper::type	tbint_type_t2f12 () const
	Returns TwoBodyOper::type corresponding to integrals over [T2,f12].

virtual TwoBodyOper::type	tbint_type_f12eri () const
	Returns TwoBodyOper::type corresponding to integrals over f12/r12.

virtual TwoBodyOper::type	tbint_type_f12f12 () const
	Returns TwoBodyOper::type corresponding to integrals over f12^2.

virtual TwoBodyOper::type	tbint_type_f12t1f12 () const
	Returns TwoBodyOper::type corresponding to integrals over [f12,[T1,f12]].

virtual TwoBodyOper::type	tbint_type_f12f12_anti () const
	Returns TwoBodyOper::type corresponding to integrals over f12*f12' antisymmetrized wrt exponents, i.e.

void	print (std::ostream &os=ExEnv::out0()) const
	print the correlation factor

Ref< GeminalDescriptor >	geminaldescriptor ()

Public Member Functions inherited from sc::RefCount
size_t	identifier () const
	Return the unique identifier for this object that can be compared for different objects of different types.

int	lock_ptr () const
	Lock this object.

int	unlock_ptr () const
	Unlock this object.

void	use_locks (bool inVal)
	start and stop using locks on this object

refcount_t	nreference () const
	Return the reference count.

refcount_t	reference ()
	Increment the reference count and return the new count.

refcount_t	dereference ()
	Decrement the reference count and return the new count.

int	managed () const
	Return 1 if the object is managed. Otherwise return 0.

Additional Inherited Members
Protected Member Functions inherited from sc::R12Technology::CorrelationFactor
virtual void	print_params (std::ostream &os, unsigned int f) const
	Print out parameters of function f. Base implementation prints nothing.

Protected Member Functions inherited from sc::RefCount
	RefCount (const RefCount &)

RefCount &	operator= (const RefCount &)

Protected Attributes inherited from sc::R12Technology::CorrelationFactor
std::string	label_

Ref< GeminalDescriptor >	geminaldescriptor_