#include <QCModel.hpp>
Inheritance diagram for QCModel:

Definition at line 33 of file QCModel.hpp.
Public Types | |
| typedef QCSymMatrix | TDensityMatrix |
| typedef QCSymMatrix | TDistanceMatrix |
| typedef QCMatrix | TEigenVectMatrix |
| typedef QCSymMatrix | TFockMatrix |
| typedef QCSymMatrix | THamiltonMatrix |
| typedef QCSymMatrix | TOverlapMatrix |
Public Member Functions | |
| QCMatrix & | getSpdWorkingAB (void) |
| QCSymMatrix & | getSpWorkingAA (void) |
| QCSymMatrix & | getSpWorkingAA2 (void) |
| QCMatrix & | getSpWorkingAB (void) |
| QCMatrix & | getSpWorkingAB2 (void) |
| QCSymMatrix & | getSpWorkingBB (void) |
| QCSymMatrix & | getSpWorkingBB2 (void) |
Protected Member Functions | |
| QCModel (const int &nbAOsp, const int &nbAOspd) | |
| virtual | ~QCModel (void) |
Protected Attributes | |
| QCMatrix | spdWorkingAB |
| QCSymMatrix | spWorkingAA |
| QCSymMatrix | spWorkingAA2 |
| QCMatrix | spWorkingAB |
| QCMatrix | spWorkingAB2 |
| QCSymMatrix | spWorkingBB |
| QCSymMatrix | spWorkingBB2 |
|
|
Definition at line 45 of file QCModel.hpp. |
|
|
The types of matrices. Those typedef allows to get the precise types of the matrices in extern classes thanks to TModel in QCManager. Definition at line 43 of file QCModel.hpp. |
|
|
Definition at line 46 of file QCModel.hpp. |
|
|
Definition at line 47 of file QCModel.hpp. |
|
|
Definition at line 48 of file QCModel.hpp. |
|
|
Definition at line 44 of file QCModel.hpp. |
|
||||||||||||
|
Definition at line 27 of file QCModel.cpp. |
|
|
Definition at line 42 of file QCModel.cpp. |
|
|
The accessors to the working sub-matrices. Used in calculation sections. Definition at line 56 of file QCModel.hpp. References spdWorkingAB. |
|
|
Definition at line 57 of file QCModel.hpp. References spWorkingAA. |
|
|
Definition at line 60 of file QCModel.hpp. References spWorkingAA2. |
|
|
Definition at line 58 of file QCModel.hpp. References spWorkingAB. |
|
|
Definition at line 62 of file QCModel.hpp. References spWorkingAB2. |
|
|
Definition at line 59 of file QCModel.hpp. References spWorkingBB. |
|
|
Definition at line 61 of file QCModel.hpp. References spWorkingBB2. |
|
|
Working sub-matrices that we put here to avoid to reallocate them several times. I don't use pointers because it's not enough memory space to earn something by recovering it. Definition at line 96 of file QCModel.hpp. Referenced by QCMndo::deriveElecEnergy(), and getSpdWorkingAB(). |
|
|
Definition at line 97 of file QCModel.hpp. Referenced by QCMndo::deriveElecEnergy(), and getSpWorkingAA(). |
|
|
Definition at line 100 of file QCModel.hpp. Referenced by getSpWorkingAA2(). |
|
|
Definition at line 98 of file QCModel.hpp. Referenced by QCMndo::deriveElecEnergy(), and getSpWorkingAB(). |
|
|
Definition at line 102 of file QCModel.hpp. Referenced by getSpWorkingAB2(). |
|
|
Definition at line 99 of file QCModel.hpp. Referenced by QCMndo::deriveElecEnergy(), and getSpWorkingBB(). |
|
|
Definition at line 101 of file QCModel.hpp. Referenced by getSpWorkingBB2(). |
1.4.4