QCMndoT< TPParam > Class Template Reference

#include <QCMndo.hpp>

Inheritance diagram for QCMndoT< TPParam >:

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Detailed Description

template<class TPParam>
class QCMndoT< TPParam >

class QCMndoT

Definition at line 179 of file QCMndo.hpp.

Public Types

typedef TPParam TParam

Public Member Functions

QCFloat dExponentialExpansion (const TPParam *__restrict__ parameterA, const TPParam *__restrict__ parameterB, const QCFloat &rAB)
QCFloat exponentialExpansion (const TPParam *__restrict__ parameterA, const TPParam *__restrict__ parameterB, const QCFloat &rAB)
const string & getParameterName (void)
 QCMndoT (void)
virtual ~QCMndoT (void)


Member Typedef Documentation

template<class TPParam>
typedef TPParam QCMndoT< TPParam >::TParam
 

The class of parameters which we indeed use. That class type is stored to avoid to use virtual methods to execute the source code of the right level in the hierarchy of class of parameters.

Definition at line 191 of file QCMndo.hpp.


Constructor & Destructor Documentation

template<class TPParam>
QCMndoT< TPParam >::QCMndoT void   ) 
 

Definition at line 737 of file QCMndo.cpp.

template<class TPParam>
QCMndoT< TPParam >::~QCMndoT void   )  [virtual]
 

Definition at line 749 of file QCMndo.cpp.


Member Function Documentation

template<class TPParam>
QCFloat QCMndoT< TPParam >::dExponentialExpansion const TPParam *__restrict__  parameterA,
const TPParam *__restrict__  parameterB,
const QCFloat rAB
[inline]
 

Derivative of the exponential development specific to the AM1 and PM3 methods. It returns 0 except for those quantum models.

template<class TPParam>
QCFloat QCMndoT< TPParam >::exponentialExpansion const TPParam *__restrict__  parameterA,
const TPParam *__restrict__  parameterB,
const QCFloat rAB
[inline]
 

Exponential development specific to the AM1 and PM3 method in the equation of the core-core repulsion function. It returns 0 except for the AM1 and PM3 quantum models.

template<class TPParam>
const string& QCMndoT< TPParam >::getParameterName void   )  [inline]
 

Return the name of the parameter name.

Definition at line 210 of file QCMndo.hpp.


The documentation for this class was generated from the following files:
Generated on Sat Jan 28 21:07:34 2006 for QC++ by  doxygen 1.4.4