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)
	xc_functional (const XCfunctional &xc, const nemo_u1_functors &u1)
madness::Tensor< double >	operator() (const madness::Key< 3 > &key, const std::vector< madness::Tensor< double > > &t) const

Public Attributes
nemo_u1_functors	u1
	empty without a nuclear correlation factor
const XCfunctional *	xc

Detailed Description

Class to compute the energy functional.

Constructor & Destructor Documentation

xc_functional() [1/2]

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

inline

References xc.

xc_functional() [2/2]

madness::xc_functional::xc_functional ( const XCfunctional & xc, const nemo_u1_functors & u1 )

inline

References u1, and xc.

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::FunctionDefaults< NDIM >::tt, MADNESS_ASSERT, u1, and xc.

Member Data Documentation

u1

nemo_u1_functors madness::xc_functional::u1

empty without a nuclear correlation factor

Referenced by xc_functional(), and operator()().

xc

const XCfunctional* madness::xc_functional::xc

Referenced by xc_functional(), xc_functional(), and operator()().

---

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

• xcfunctional.h