#include <QCPm3.hpp>
Inheritance diagram for QCPm3T< TPParam >:
Definition at line 80 of file QCPm3.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) |
QCPm3T (void) | |
virtual | ~QCPm3T (void) |
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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. |
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Derivative of the exponential development specific to the AM1 and PM3 methods. It returns 0 except for those quantum models. |
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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. |
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Return the name of the parameter name. |