madness::xc_functional Struct Reference

Class to compute the energy functional. More...

#include <xcfunctional.h>

Collaboration diagram for madness::xc_functional:

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 XCfunctional *	xc

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

References madness::XCfunctional::exc(), MADNESS_ASSERT, and xc.

Member Data Documentation

xc

const XCfunctional* madness::xc_functional::xc

Referenced by operator()().

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

• xcfunctional.h