Scine::Sparrow  4.0.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::nddo::OneCenterTwoElectronIntegralExpression Class Reference

#include <OneCenterTwoElectronIntegralExpression.h>

Collaboration diagram for Scine::Sparrow::nddo::OneCenterTwoElectronIntegralExpression:
Collaboration graph

Public Member Functions

 OneCenterTwoElectronIntegralExpression (double F1, sc_t E1, double F2, sc_t E2, double F3, sc_t E3)
 
 OneCenterTwoElectronIntegralExpression (double F1, sc_t E1, double F2, sc_t E2)
 
 OneCenterTwoElectronIntegralExpression (double F1, sc_t E1)
 
double result (const SlaterCondonParameters *p)
 

Detailed Description

This class allows the creation of instances containing, so to say, the analytical expression for the calculation of a one-center two-electron integral based on Slater-Type parameters.

The documentation for this class was generated from the following file: