Passes params to Integral::g12() More...
#include <chemistry/qc/basis/intparams.h>
Inheritance diagram for sc::IntParamsG12:
Public Types | |
| typedef std::pair< double, double > | PrimitiveGeminal |
| std::pair< g, c > as in c * exp( - g*r12) | |
|
typedef std::vector < PrimitiveGeminal > | ContractedGeminal |
Public Member Functions | |
| IntParamsG12 (const ContractedGeminal &bra) | |
| Request integrals with only 1 geminal (g12, g12/r12, [Ti,g12]) | |
| IntParamsG12 (const ContractedGeminal &bra, const ContractedGeminal &ket) | |
| Request integrals with 2 geminals (g12*g12', [g12,[T1,g12']], [Ti,g12*g12']) | |
| IntParamsG12 (StateIn &) | |
| void | save_data_state (StateOut &) |
| Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. | |
| const ContractedGeminal & | bra () const |
| const ContractedGeminal & | ket () const |
Static Public Member Functions | |
| static PrimitiveGeminal | product (const PrimitiveGeminal &A, const PrimitiveGeminal &B) |
| static ContractedGeminal | product (const ContractedGeminal &A, const ContractedGeminal &B) |
Static Public Attributes | |
| static ContractedGeminal | zero_exponent_geminal |
| 1 = e^(-0.0 * r_{12}) | |
| static ContractedGeminal | null_geminal |
| null (i.e., invalid) geminal | |
Detailed Description
Passes params to Integral::g12()
Member Function Documentation
| void sc::IntParamsG12::save_data_state | ( | StateOut & | ) | [virtual] |
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.
This must be implemented by the derived class if the class has data.
Reimplemented from sc::IntParams.
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/basis/intparams.h