MPQC
2.3.1
|
Int2eCCA adapts CCA integrals components for use within SC. More...
#include <int2e.h>
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. More... | |
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. More... | |
Protected Attributes | |
Integral * | integral_ |
Additional Inherited Members | |
Protected Member Functions inherited from sc::RefCount | |
RefCount (const RefCount &) | |
RefCount & | operator= (const RefCount &) |
Int2eCCA adapts CCA integrals components for use within SC.
It is used by TwoBodyIntCCA and TwoBodyDerivIntCCA to implement the IntegralCCA class.