#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 |
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Definition at line 45 of file QCModel.hpp. |
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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. |
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Definition at line 46 of file QCModel.hpp. |
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Definition at line 47 of file QCModel.hpp. |
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Definition at line 48 of file QCModel.hpp. |
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Definition at line 44 of file QCModel.hpp. |
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Definition at line 27 of file QCModel.cpp. |
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Definition at line 42 of file QCModel.cpp. |
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The accessors to the working sub-matrices. Used in calculation sections. Definition at line 56 of file QCModel.hpp. References spdWorkingAB. |
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Definition at line 57 of file QCModel.hpp. References spWorkingAA. |
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Definition at line 60 of file QCModel.hpp. References spWorkingAA2. |
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Definition at line 58 of file QCModel.hpp. References spWorkingAB. |
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Definition at line 62 of file QCModel.hpp. References spWorkingAB2. |
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Definition at line 59 of file QCModel.hpp. References spWorkingBB. |
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Definition at line 61 of file QCModel.hpp. References spWorkingBB2. |
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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(). |
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Definition at line 97 of file QCModel.hpp. Referenced by QCMndo::deriveElecEnergy(), and getSpWorkingAA(). |
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Definition at line 100 of file QCModel.hpp. Referenced by getSpWorkingAA2(). |
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Definition at line 98 of file QCModel.hpp. Referenced by QCMndo::deriveElecEnergy(), and getSpWorkingAB(). |
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Definition at line 102 of file QCModel.hpp. Referenced by getSpWorkingAB2(). |
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Definition at line 99 of file QCModel.hpp. Referenced by QCMndo::deriveElecEnergy(), and getSpWorkingBB(). |
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Definition at line 101 of file QCModel.hpp. Referenced by getSpWorkingBB2(). |