|
MPQC 3.0.0-alpha
|
Implements descriptors for various two-body evaluators. More...
#include <chemistry/qc/basis/intdescr.h>
Public Types | |
| typedef TwoBodyIntTraits< NumCenters, TwoBodyIntSet > | TraitsType |
| typedef TraitsType::ParamsType | ParamsType |
| typedef TwoBodyIntType< NumCenters >::value | EvalType |
Public Member Functions | |
| TwoBodyNCenterIntDescr (const Ref< Integral > &IF, const Ref< ParamsType > ¶ms=Ref< ParamsType >(dynamic_cast< ParamsType * >(new IntParamsVoid))) | |
| TwoBodyNCenterIntDescr (const Ref< Integral > &IF, const Ref< IntParams > ¶ms) | |
| 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.) | |
| TwoBodyOperSet::type | operset () const |
| the type of the operator set | |
| unsigned int | num_sets () const |
| how many integral sets | |
| unsigned int | intset (TwoBodyOper::type t) const |
| Maps integral set t to its index in this set. | |
| TwoBodyOper::type | intset (unsigned int t) const |
| Maps integral set t to its TwoBodyOper::type. | |
Public Member Functions inherited from sc::IntegralSetDescr< TwoBodyIntType< NumCenters >::value > | |
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 (TwoBodyOper::type t) |
| Static version of TwoBodyIntDescr::intset() | |
| static TwoBodyOper::type | intSet (unsigned int t) |
| Static version of TwoBodyIntDescr::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 &) |
Implements descriptors for various two-body evaluators.
|
inlinevirtual |
which factory is used
Implements sc::IntegralSetDescr< TwoBodyIntType< NumCenters >::value >.
|
inlinevirtual |
call appropriate method to produce TwoBodyInt corresponding to this Set
Implements sc::IntegralSetDescr< TwoBodyIntType< NumCenters >::value >.
References sc::TwoBodyIntTraits< NumCenters, Type >::eval().
|
inlinevirtual |
Maps integral set t to its index in this set.
Implements sc::IntegralSetDescr< TwoBodyIntType< NumCenters >::value >.
References sc::TwoBodyNCenterIntDescr< NumCenters, TwoBodyIntSet >::intSet().
|
inlinevirtual |
Maps integral set t to its TwoBodyOper::type.
Implements sc::IntegralSetDescr< TwoBodyIntType< NumCenters >::value >.
References sc::TwoBodyNCenterIntDescr< NumCenters, TwoBodyIntSet >::intSet().
|
inlinevirtual |
how many integral sets
Implements sc::IntegralSetDescr< TwoBodyIntType< NumCenters >::value >.
|
inlinevirtual |
the type of the operator set
Implements sc::IntegralSetDescr< TwoBodyIntType< NumCenters >::value >.
|
inlinevirtual |
optional parameters that determine the operator set (e.g., geminal exponents, etc.)
Implements sc::IntegralSetDescr< TwoBodyIntType< NumCenters >::value >.