Int1eCCA adapts CCA integrals components for use within SC. More...
#include <int1e.h>
Inheritance diagram for sc::Int1eCCA:
Collaboration diagram for sc::Int1eCCA:
Public Member Functions | |
| Int1eCCA (Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, int order, IntegralEvaluatorFactory, std::string, bool) | |
| double * | buffer () |
| void | overlap (int ish, int jsh) |
| void | overlap_1der (int ish, int jsh, Chemistry_QC_GaussianBasis_DerivCenters &dc) |
| void | kinetic (int ish, int jsh) |
| void | kinetic_1der (int ish, int jsh, Chemistry_QC_GaussianBasis_DerivCenters &dc) |
| void | nuclear (int ish, int jsh) |
| void | nuclear_1der (int ish, int jsh, Chemistry_QC_GaussianBasis_DerivCenters &dc) |
| void | hcore (int ish, int jsh) |
| void | hcore_1der (int ish, int jsh, Chemistry_QC_GaussianBasis_DerivCenters &dc) |
 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 &) |
Detailed Description
Int1eCCA adapts CCA integrals components for use within SC.
It is used by OneBodyIntCCA and OneBodyDerivIntCCA to implement the IntegralCCA class.
The documentation for this class was generated from the following file: