MADNESS  0.10.1
Public Member Functions | Public Attributes | List of all members
madness::xc_functional Struct Reference

Class to compute the energy functional. More...

#include <xcfunctional.h>

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Public Member Functions

 xc_functional (const XCfunctional &xc)
 
madness::Tensor< double > operator() (const madness::Key< 3 > &key, const std::vector< madness::Tensor< double > > &t) const
 

Public Attributes

const XCfunctionalxc
 

Detailed Description

Class to compute the energy functional.

Constructor & Destructor Documentation

◆ xc_functional()

madness::xc_functional::xc_functional ( const XCfunctional xc)
inline

Member Function Documentation

◆ operator()()

madness::Tensor<double> madness::xc_functional::operator() ( const madness::Key< 3 > &  key,
const std::vector< madness::Tensor< double > > &  t 
) const
inline

Member Data Documentation

◆ xc

const XCfunctional* madness::xc_functional::xc

Referenced by operator()().


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