Public Member Functions

int nbasis () const
Return the number of basis functions on center one. int nbasis1 () const
Return the number of basis functions on center one. int nbasis2 () const
Return the number of basis functions on center two. int nshell () const
Return the number of shells on center one. int nshell1 () const
Return the number of shells on center one. int nshell2 () const
Return the number of shells on center two. Ref< GaussianBasisSet > basis ()
Return the basis set on center one. Ref< GaussianBasisSet > basis1 ()
Return the basis set on center one. Ref< GaussianBasisSet > basis2 ()
Return the basis set on center two. const double * buffer () const
The computed shell integrals will be put in the buffer returned by this member. virtual void compute_shell (int, int, DerivCenters &)=0
Given for shell indices, this will cause the integral buffer to be filled in. virtual int log2_shell_bound (int=-1, int=-1)=0
Return log base 2 of the maximum magnitude of any integral in a shell block.

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

TwoBodyTwoCenterDerivInt (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2)

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

Protected Attributes

Integral * integral_
Ref< GaussianBasisSet > bs1_
Ref< GaussianBasisSet > bs2_
double * buffer_

virtual int sc::TwoBodyTwoCenterDerivInt::log2_shell_bound (int = -1, int = -1) [pure virtual]

Return log base 2 of the maximum magnitude of any integral in a shell block. An index of -1 for any argument indicates any shell.