madness::CISData Struct Reference

POD for CIS excitation. More...

#include <PNOStructures.h>

Public Member Functions
	CISData ()
	CISData (const size_t &n, const double &o, const vector_real_function_3d &f)
bool	initialized () const

Public Attributes
vector_real_function_3d	Kx =vector_real_function_3d()
int	number =-1
double	omega =0.0
vector_real_function_3d	Vx =vector_real_function_3d()
vector_real_function_3d	x =vector_real_function_3d()

Detailed Description

POD for CIS excitation.

Constructor & Destructor Documentation

CISData() [1/2]

madness::CISData::CISData ( )

inline

CISData() [2/2]

madness::CISData::CISData ( const size_t &  n, const double &  o, const vector_real_function_3d &  f  )

inline

Member Function Documentation

initialized()

bool madness::CISData::initialized ( ) const

inline

References madness::nonlinear_vector_solver(), number, omega, and x.

Referenced by madness::PNOPairs::is_consistent().

Member Data Documentation

Kx

vector_real_function_3d madness::CISData::Kx =vector_real_function_3d()

Referenced by madness::PNO::compute_cispd_fluctuation_matrix(), and madness::PNO::iterate_pairs_internal().

number

int madness::CISData::number =-1

Referenced by initialized(), and madness::PNO::iterate_pairs_internal().

omega

double madness::CISData::omega =0.0

Referenced by initialized(), madness::PNO::iterate_pairs_internal(), madness::PNO::solve_cispd(), madness::PNO::t_solve(), and madness::PNO::update_pno().

Vx

vector_real_function_3d madness::CISData::Vx =vector_real_function_3d()

Referenced by madness::PNO::compute_cispd_fluctuation_matrix(), madness::PNO::compute_cispd_fluctuation_potential(), and madness::PNO::iterate_pairs_internal().

x

vector_real_function_3d madness::CISData::x =vector_real_function_3d()

Referenced by madness::PNOPairs::PNOPairs(), madness::PNO::compute_cispd_fluctuation_matrix(), madness::PNO::compute_cispd_fluctuation_potential(), madness::PNO::grow_rank(), madness::PNO::initialize_pairs(), initialized(), madness::PNO::iterate_pairs_internal(), and madness::PNO::t_solve().

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

• PNOStructures.h