sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet > Class Template Reference

Implements descriptors for various two-body evaluators. More...

#include <chemistry/qc/basis/intdescr.h>

Inheritance diagram for sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet >:

Public Types
typedef OneBodyIntTraits< NumCenters, OneBodyIntSet >	TraitsType
typedef TraitsType::ParamsType	ParamsType
typedef OneBodyIntType< NumCenters >::value	EvalType

Public Member Functions
	OneBodyNCenterIntDescr (const Ref< Integral > &IF, const Ref< ParamsType > &params=Ref< ParamsType >(dynamic_cast< ParamsType * >(new IntParamsVoid)))
	OneBodyNCenterIntDescr (const Ref< Integral > &IF, const Ref< IntParams > &params)
const Ref< Integral > &	factory () const
	which factory is used
Ref< EvalType >	inteval () const
	call appropriate method to produce TwoBodyInt corresponding to this Set
Ref< IntParams >	params () const
	optional parameters that determine the operator set (e.g., geminal exponents, etc.)
OneBodyOperSet::type	operset () const
	the type of the operator set
unsigned int	num_sets () const
	how many integral sets
unsigned int	intset (OneBodyOper::type t) const
OneBodyOper::type	intset (unsigned int t) const
	Maps integral set t to its TwoBodyOper::type.
Public Member Functions inherited from sc::IntegralSetDescr< OneBodyIntType< NumCenters >::value >
virtual unsigned int	intset (TwoBodyOper::type t) const=0
	Maps integral set t to its index in this set.
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.

Static Public Member Functions
static unsigned int	intSet (OneBodyOper::type t)
	Static version of OneBodyIntDescr::intset()
static OneBodyOper::type	intSet (unsigned int t)
	Static version of OneBodyIntDescr::intset()

Static Public Attributes
static const unsigned int	num_intsets = TraitsType::size

Additional Inherited Members
Protected Member Functions inherited from sc::RefCount
	RefCount (const RefCount &)
RefCount &	operator= (const RefCount &)

Detailed Description

template<int NumCenters, OneBodyOperSet::type OneBodyIntSet>
class sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet >

Implements descriptors for various two-body evaluators.

Member Function Documentation

factory()

template<int NumCenters, OneBodyOperSet::type OneBodyIntSet>

const Ref< Integral > & sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet >::factory ( ) const

inlinevirtual

which factory is used

Implements sc::IntegralSetDescr< OneBodyIntType< NumCenters >::value >.

inteval()

template<int NumCenters, OneBodyOperSet::type OneBodyIntSet>

Ref< EvalType > sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet >::inteval ( ) const

inlinevirtual

call appropriate method to produce TwoBodyInt corresponding to this Set

Implements sc::IntegralSetDescr< OneBodyIntType< NumCenters >::value >.

References sc::OneBodyIntTraits< NumCenters, Type >::eval().

intset()

template<int NumCenters, OneBodyOperSet::type OneBodyIntSet>

OneBodyOper::type sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet >::intset ( unsigned int t ) const

inlinevirtual

Maps integral set t to its TwoBodyOper::type.

Implements sc::IntegralSetDescr< OneBodyIntType< NumCenters >::value >.

References sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet >::intSet().

num_sets()

template<int NumCenters, OneBodyOperSet::type OneBodyIntSet>

unsigned int sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet >::num_sets ( ) const

inlinevirtual

how many integral sets

Implements sc::IntegralSetDescr< OneBodyIntType< NumCenters >::value >.

operset()

template<int NumCenters, OneBodyOperSet::type OneBodyIntSet>

OneBodyOperSet::type sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet >::operset ( ) const

inlinevirtual

the type of the operator set

Implements sc::IntegralSetDescr< OneBodyIntType< NumCenters >::value >.

params()

template<int NumCenters, OneBodyOperSet::type OneBodyIntSet>

Ref< IntParams > sc::OneBodyNCenterIntDescr< NumCenters, OneBodyIntSet >::params ( ) const

inlinevirtual

optional parameters that determine the operator set (e.g., geminal exponents, etc.)

Implements sc::IntegralSetDescr< OneBodyIntType< NumCenters >::value >.

---

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

• src/lib/chemistry/qc/basis/intdescr.h