Scine::Sparrow  5.1.0
Library for fast and agile quantum chemical calculations with semiempirical methods.
 All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Pages
Public Member Functions | List of all members
Scine::Sparrow::nddo::DiatomicParameters Class Reference

#include <DiatomicParameters.h>

Inheritance diagram for Scine::Sparrow::nddo::DiatomicParameters:
Inheritance graph
Collaboration diagram for Scine::Sparrow::nddo::DiatomicParameters:
Collaboration graph

Public Member Functions

bool isValid () const
 
void setFirstElement (Utils::ElementType e)
 
void setSecondElement (Utils::ElementType e)
 
Utils::ElementType firstElement () const
 
Utils::ElementType secondElement () const
 

Detailed Description

Class for the storage of pairwise parameters in the PM6 method. (only those needed at runtime)

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