NAME

       sc::OneBodyIntV3 - This implements most one body integrals in the IntV3 library.

SYNOPSIS

       #include <obintv3.h>

       Inherits sc::OneBodyInt.

   Public Member Functions
       OneBodyIntV3 (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet >
           &, IntegralFunction)
       void compute_shell (int, int)
           Computes the integrals between basis functions in the given shell pair.
       bool cloneable ()
           Return true if the clone member can be called.
       Ref< OneBodyInt > clone ()
           Returns a clone of this.

       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< GaussianBasisSet > basis ()
           Return the basis set on center one.
       Ref< GaussianBasisSet > basis1 ()
           Return the basis set on the center one.
       Ref< GaussianBasisSet > basis2 ()
           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.
       Integral * integral () 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.
       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.

   Protected Types
       typedef void(Int1eV3::* IntegralFunction) (int, int)

   Protected Attributes
       Ref< Int1eV3 > int1ev3_
       IntegralFunction intfunc_

       Protected Attributes inherited from sc::OneBodyInt
       Integral * integral_
       Ref< GaussianBasisSet > bs1_
       Ref< GaussianBasisSet > bs2_
       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 &)
       RefCount & operator= (const RefCount &)

Detailed Description

       This implements most one body integrals in the IntV3 library.

       It is given a function pointer to the Int1eV3 member that computes the particular integral
       of interest.

Member Function Documentation

   Ref< OneBodyInt > sc::OneBodyIntV3::clone () [virtual]
       Returns a clone of this. The default implementation throws an exception.

       Reimplemented from sc::OneBodyInt.

   bool sc::OneBodyIntV3::cloneable () [virtual]
       Return true if the clone member can be called. The default implementation returns false.

       Reimplemented from sc::OneBodyInt.

   void sc::OneBodyIntV3::compute_shell (int, int) [virtual]
       Computes the integrals between basis functions in the given shell pair.

       Implements sc::OneBodyInt.

Author

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