Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
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Scine::Sparrow::nddo::SlaterCondonParameters Class Reference

#include <SlaterCondonParameters.h>

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

Public Member Functions

void setElement (Utils::ElementType element)
 
void setExponents (double es, double ep=1.0, double ed=1.0)
 
void set (sc_t type, double value)
 
double get (sc_t type) const
 
void calculate ()
 

Detailed Description

This class is the container for the Slater-Condon parameters.

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