sc::TwoBodyIntDescrG12DKH Class Reference
TwoBodyIntDescrG12DKH describes a particular set of integrals used in Gaussian geminal-based R12 methods based on Douglas-Kroll-Hess references. More...
#include <chemistry/qc/basis/intdescr.h>
Inheritance diagram for sc::TwoBodyIntDescrG12DKH:
Public Member Functions | |
| TwoBodyIntDescrG12DKH (const Ref< Integral > &IF, const Ref< IntParamsG12 > &g12params) | |
| Compute integrals using geminal parameters params. | |
| 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 = 1 |
Detailed Description
TwoBodyIntDescrG12DKH describes a particular set of integrals used in Gaussian geminal-based R12 methods based on Douglas-Kroll-Hess references.Currently, only integrals of the operators involved in the evaluation of the [g12,[p4,g12]] integral are included: 1) g12p4g12_m_g12t1g12t1 -- see TwoBodyInt::g12p4g12_m_g12t1g12t1
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/basis/intdescr.h