sc::TwoBodyIntDescrR12 Class Reference
TwoBodyIntDescrR12 describes a complete set of integrals used in MP2-F12 theories using linear r12 correlation factor. More...
#include <chemistry/qc/basis/intdescr.h>
Inheritance diagram for sc::TwoBodyIntDescrR12:
Public Member Functions | |
| TwoBodyIntDescrR12 (const Ref< Integral > &IF) | |
| Ref< Integral > | factory () const |
| which factory is used | |
| Ref< TwoBodyInt > | inteval () const |
| implementation of TwoBodyIntDescr::inteval() | |
| unsigned int | num_sets () const |
| implementation of TwoBodyIntDescr::num_sets() | |
| Ref< IntParams > | params () const |
| implementation of TwoBodyIntDescr::params() | |
| unsigned int | intset (TwoBodyInt::tbint_type t) const |
| Implementation of TwoBodyIntDescr::intset(). | |
| TwoBodyInt::tbint_type | intset (unsigned int t) const |
| Implementation of TwoBodyIntDescr::intset(). | |
Static Public Member Functions | |
| static unsigned int | intSet (TwoBodyInt::tbint_type t) |
| Static version of TwoBodyIntDescr::intset(). | |
| static TwoBodyInt::tbint_type | intSet (unsigned int t) |
| Static version of TwoBodyIntDescr::intset(). | |
Static Public Attributes | |
| static const unsigned int | num_intsets = 4 |
Detailed Description
TwoBodyIntDescrR12 describes a complete set of integrals used in MP2-F12 theories using linear r12 correlation factor.The following integrals are computed: 1) 1/r_{12} 2) r_{12} 3) [T_1,r_{12}] 4) [T_2,r_{12}]
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/basis/intdescr.h