KsData< Matrix > Struct Template Reference

structure describing the data needed by distributors. More...

#include <xc_evaluators.h>

List of all members.

Public Member Functions

 KsData (Matrix *m_, size_t s)
 ~KsData ()

Public Attributes

Matrix * excmat
realdR
realdZ
real energy

Detailed Description

template<typename Matrix>
struct KsData< Matrix >

structure describing the data needed by distributors.

This is the restricted-orbital formalism, cross alpha-beta terms are not needed.


Constructor & Destructor Documentation

template<typename Matrix>
KsData< Matrix >::KsData ( Matrix *  m_,
size_t  s 
) [inline]
template<typename Matrix>
KsData< Matrix >::~KsData (  )  [inline]

Member Data Documentation

template<typename Matrix>
real* KsData< Matrix >::dR
template<typename Matrix>
real* KsData< Matrix >::dZ
template<typename Matrix>
real KsData< Matrix >::energy
template<typename Matrix>
Matrix* KsData< Matrix >::excmat

Referenced by xcCallbackGgaR(), and xcCallbackLdaR().


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

Generated on 10 Jul 2018 for ergo by  doxygen 1.6.1