QCAm1T< TPParam > Class Template Reference

#include <QCAm1.hpp>

Inheritance diagram for QCAm1T< TPParam >:

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Detailed Description

template<class TPParam>
class QCAm1T< TPParam >

class QCAm1T

Definition at line 85 of file QCAm1.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)
 QCAm1T (void)
virtual ~QCAm1T (void)


Member Typedef Documentation

template<class TPParam>
typedef TPParam QCAm1T< 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 97 of file QCAm1.hpp.


Constructor & Destructor Documentation

template<class TPParam>
QCAm1T< TPParam >::QCAm1T void   ) 
 

Definition at line 49 of file QCAm1.cpp.

template<class TPParam>
QCAm1T< TPParam >::~QCAm1T void   )  [virtual]
 

Definition at line 61 of file QCAm1.cpp.


Member Function Documentation

template<class TPParam>
QCFloat QCAm1T< TPParam >::dExponentialExpansion const TPParam *__restrict__  parameterA,
const TPParam *__restrict__  parameterB,
const QCFloat rAB
 

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

template<class TPParam>
QCFloat QCAm1T< TPParam >::exponentialExpansion const TPParam *__restrict__  parameterA,
const TPParam *__restrict__  parameterB,
const QCFloat rAB
 

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& QCAm1T< TPParam >::getParameterName void   )  [inline]
 

Return the name of the parameter name.

Definition at line 116 of file QCAm1.hpp.


The documentation for this class was generated from the following files:
Generated on Sat Jan 28 21:07:33 2006 for QC++ by  doxygen 1.4.4