MPQC  2.3.1
Public Member Functions | Protected Attributes | List of all members
sc::DipoleIntV3 Class Reference
Inheritance diagram for sc::DipoleIntV3:
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Collaboration diagram for sc::DipoleIntV3:
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Public Member Functions

 DipoleIntV3 (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, const Ref< DipoleData > &)
 
void compute_shell (int, int)
 Computes the integrals between basis functions in the given shell pair.
 
- Public Member Functions inherited from sc::OneBodyInt
int nbasis () const
 Returns the number of basis functions on center one.
 
int nbasis1 () const
 Returns the number of basis functions on the center one.
 
int nbasis2 () const
 Returns the number of basis functions on the center two.
 
int nshell () const
 Return the number of shells on center one.
 
int nshell1 () const
 Return the number of shells on the center one.
 
int nshell2 () const
 Return the number of shells on the center two.
 
Ref< GaussianBasisSetbasis ()
 Return the basis set on center one.
 
Ref< GaussianBasisSetbasis1 ()
 Return the basis set on the center one.
 
Ref< GaussianBasisSetbasis2 ()
 Return the basis set on the center two.
 
const double * buffer () const
 Returns the buffer where the integrals are placed.
 
virtual void reinitialize ()
 This is called for one body integrals that take data to let them know that the data they reference has changed.
 
virtual bool cloneable ()
 Return true if the clone member can be called. More...
 
virtual Ref< OneBodyIntclone ()
 Returns a clone of this. More...
 
Integralintegral () const
 
- Public Member Functions inherited from sc::RefCount
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...
 
int managed () const
 Return 1 if the object is managed. Otherwise return 0.
 
- Public Member Functions inherited from sc::Identity
Identifier identifier ()
 Return the Identifier for this argument. More...
 

Protected Attributes

Ref< Int1eV3int1ev3_
 
Ref< DipoleDatadata_
 
- Protected Attributes inherited from sc::OneBodyInt
Integralintegral_
 
Ref< GaussianBasisSetbs1_
 
Ref< GaussianBasisSetbs2_
 
double * buffer_
 

Additional Inherited Members

- Protected Member Functions inherited from sc::OneBodyInt
 OneBodyInt (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2=0)
 
- Protected Member Functions inherited from sc::RefCount
 RefCount (const RefCount &)
 
RefCountoperator= (const RefCount &)
 

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

Generated at Sun Jan 26 2020 23:33:06 for MPQC 2.3.1 using the documentation package Doxygen 1.8.16.