TwoParticleContraction contracts nrow-by-ncol bra- or ket-blocks of two 2-particle tensors i.e. More...
#include <chemistry/qc/mbptr12/twoparticlecontraction.h>
Inheritance diagram for sc::mbptr12::TwoParticleContraction:
Public Member Functions | |
| TwoParticleContraction (unsigned int nrow, unsigned int ncol) | |
| TwoParticleContraction (StateIn &si) | |
| void | save_data_state (StateOut &so) |
| Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. | |
| unsigned int | nrow () const |
| unsigned int | ncol () const |
| virtual double | contract (const double *A, const double *B) const =0 |
| Computes contraction of blocks A and B. | |
Protected Member Functions | |
| double | dot_prod (const double *A, const double *B) const |
Detailed Description
TwoParticleContraction contracts nrow-by-ncol bra- or ket-blocks of two 2-particle tensors i.e.
each ij element of the first tensor is multiplied with the ij element of the ij element of the second tensor and all ij-ij products are summed.
Member Function Documentation
| void sc::mbptr12::TwoParticleContraction::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::SavableState.
Reimplemented in sc::mbptr12::CABS_OBS_Contraction, sc::mbptr12::ABS_OBS_Contraction, and sc::mbptr12::Direct_Contraction.
The documentation for this class was generated from the following file:
- src/lib/chemistry/qc/mbptr12/twoparticlecontraction.h