plucky (3) sc_OneBodyOneCenterInt.3.gz

NAME

       sc::OneBodyOneCenterInt - OneBodyOneCenterInt is an abstract base class for objects that
       compute integrals between two basis functions.

SYNOPSIS

       #include <obint.h>

       Inherits sc::RefCount.

       Inherited by sc::OneBodyOneCenterWrapper.

   Public Member Functions
       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 nshell () const
           Return the number of shells on center one.
       int nshell1 () const
           Return the number of shells on the center one.
       Ref< GaussianBasisSet > basis ()
           Return the basis set on center one.
       Ref< GaussianBasisSet > basis1 ()
           Return the basis set on the center one.
       const double * buffer () const
           Returns the buffer where the integrals are placed.
       virtual void compute_shell (int)=0
           Computes the integrals for basis functions on the given shell.
       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.
       virtual Ref< OneBodyOneCenterInt > clone ()
           Returns a clone of this.
       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 Member Functions
       OneBodyOneCenterInt (Integral *integral, const Ref< GaussianBasisSet > &b1)

       Protected Member Functions inherited from sc::RefCount
       RefCount (const RefCount &)
       RefCount & operator= (const RefCount &)

   Protected Attributes
       Integral * integral_
       Ref< GaussianBasisSet > bs1_
       double * buffer_

Detailed Description

       OneBodyOneCenterInt is an abstract base class for objects that compute integrals between
       two basis functions.

Member Function Documentation

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

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

   virtual void sc::OneBodyOneCenterInt::compute_shell (int) [pure virtual]
       Computes the integrals for basis functions on the given shell.

       Implemented in sc::OneBodyOneCenterWrapper.

Author

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