madness::perturbed_vxc Struct Reference

#include <TDA_XC.h>

Collaboration diagram for madness::perturbed_vxc:

Public Member Functions
	perturbed_vxc (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::perturbed_vxc::perturbed_vxc ( const XCfunctional &  xc, int  ispin, int  what  )

inline

Member Function Documentation

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

inline

References madness::XCfunctional::fxc(), madness::XCfunctional::is_gga(), madness::XCfunctional::is_lda(), MADNESS_EXCEPTION, and madness::XCfunctional::vxc().

Member Data Documentation

const int madness::perturbed_vxc::ispin

const int madness::perturbed_vxc::what

const XCfunctional* madness::perturbed_vxc::xc

---

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

• TDA_XC.h