MPQC  3.0.0-alpha
sc::IntegralSetDescr< IntEval > Class Template Referenceabstract

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>

Inheritance diagram for sc::IntegralSetDescr< IntEval >:
sc::RefCount

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< IntParamsparams () 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 &)
 
RefCountoperator= (const RefCount &)
 

Detailed Description

template<typename IntEval>
class sc::IntegralSetDescr< IntEval >

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?).

Template Parameters
IntEvalthe base evaluator type (e.g. TwoBodyInt) for all integrals in the integral set.

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

Generated at Sun Jan 26 2020 23:24:06 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.