MPQC
3.0.0-alpha
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IntegralSetDescr contains all information necessary to construct an IntEval object that computes a particular set of integrals using an Integral factory. More...
#include <chemistry/qc/basis/intdescr.h>
Public Member Functions | |
virtual const Ref< Integral > & | factory () const =0 |
the factory used to create integral evaluator | |
virtual Ref< IntEval > | inteval () const =0 |
call appropriate method to produce TwoBodyInt corresponding to this Set | |
virtual unsigned int | num_sets () const =0 |
how many integral sets | |
virtual Ref< IntParams > | params () const =0 |
optional parameters that determine the operator set (e.g., geminal exponents, etc.) | |
virtual IntEvalToOperSetType< IntEval >::value | operset () const =0 |
the type of the operator set | |
virtual unsigned int | intset (TwoBodyOper::type t) const =0 |
Maps integral set t to its index in this set. | |
virtual TwoBodyOper::type | intset (unsigned int t) const =0 |
Maps integral set t to its TwoBodyOper::type. | |
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. More... | |
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 |
void | unmanage () |
Turn off the reference counting mechanism for this object. More... | |
Additional Inherited Members | |
Protected Member Functions inherited from sc::RefCount | |
RefCount (const RefCount &) | |
RefCount & | operator= (const RefCount &) |
IntegralSetDescr contains all information necessary to construct an IntEval object that computes a particular set of integrals using an Integral factory.
This means that it must provide all parameters necessary to construct such set (i.e. geminal exponents, etc.). It also allows to programmatically (at runtime) to examine the set (i.e. ask what is the first integral type?).
IntEval | the base evaluator type (e.g. TwoBodyInt) for all integrals in the integral set. |