sc_Int2eCCA - Man Page

Int2eCCA adapts CCA integrals components for use within SC.

Synopsis

#include <int2e.h>

Inherits sc::RefCount.

Public Member Functions

Int2eCCA (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, int order, size_t storage, IntegralEvaluatorFactory, bool, string)
double * buffer ()
void compute_erep (int is, int js, int ks, int ls)
void compute_erep_1der (int is, int js, int ks, int ls, Chemistry::QC::GaussianBasis::DerivCenters &dc)
int redundant () const
void set_redundant (int i)

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 Attributes

Integral * integral_

Additional Inherited Members

Protected Member Functions inherited from sc::RefCount

RefCount (const RefCount &)
RefCount & operator= (const RefCount &)

Detailed Description

Int2eCCA adapts CCA integrals components for use within SC.

It is used by TwoBodyIntCCA and TwoBodyDerivIntCCA to implement the IntegralCCA class.

Author

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Info

Version 2.3.1 MPQC