madness::get_derivatives Struct Reference

#include <TDA_XC.h>

Collaboration diagram for madness::get_derivatives:

Public Member Functions
	get_derivatives (const XCfunctional &xc, int ispin, int what)
madness::Tensor< double >	operator() (const madness::Key< 3 > &key, const std::vector< madness::Tensor< double > > &t) const

Public Attributes
const XCfunctional *	xc
const int	what
const int	ispin

Constructor & Destructor Documentation

madness::get_derivatives::get_derivatives ( const XCfunctional &  xc, int  ispin, int  what  )

inline

Member Function Documentation

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

inline

References madness::XCfunctional::fxc(), and MADNESS_EXCEPTION.

Member Data Documentation

const int madness::get_derivatives::ispin

const int madness::get_derivatives::what

const XCfunctional* madness::get_derivatives::xc

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

• TDA_XC.h