Builds the two-body part of the Fock matrix in AO basis using DF-based algorithm. More...

Inheritance diagram for sc::TwoBodyFockMatrixDFBuilder:

Public Member Functions
	TwoBodyFockMatrixDFBuilder (bool compute_F, bool compute_J, bool compute_K, const Ref< GaussianBasisSet > &brabasis, const Ref< GaussianBasisSet > &ketbasis, const Ref< GaussianBasisSet > &densitybasis, const RefSymmSCMatrix &density, const RefSymmSCMatrix &openshelldensity, const Ref< DensityFittingInfo > &df_info, const Ref< FockBuildRuntime::PSqrtRegistry > &psqrtregistry)

const ResultType &	F (unsigned int t=0) const

const ResultType &	J (unsigned int t=0) const

const ResultType &	K (unsigned int t=0) const

ResultType	F (SpinCase1 spin) const

ResultType	K (SpinCase1 spin) const

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.

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
	Return 1 if the object is managed. Otherwise return 0.

Additional Inherited Members
Protected Member Functions inherited from sc::RefCount
	RefCount (const RefCount &)

RefCount &	operator= (const RefCount &)

Detailed Description

Builds the two-body part of the Fock matrix in AO basis using DF-based algorithm.

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

Public Member Functions