MADNESS  0.10.1
Public Member Functions | Public Attributes | List of all members
BoysLocalization Struct Reference

Public Member Functions

 BoysLocalization ()
 
 BoysLocalization (unsigned int norbs)
 
double DIP (const real_tensor &dip, int i, int j, int k, int l)
 
real_tensor operator() (World &world, const vector_real_function_3d &mo, const double thresh=1e-9, const double thetamax=0.5, const bool randomize=true)
 
void set_size (unsigned int norbs)
 

Public Attributes

std::vector< int > aset
 

Constructor & Destructor Documentation

◆ BoysLocalization() [1/2]

BoysLocalization::BoysLocalization ( )
inline

◆ BoysLocalization() [2/2]

BoysLocalization::BoysLocalization ( unsigned int  norbs)
inline

Member Function Documentation

◆ DIP()

double BoysLocalization::DIP ( const real_tensor dip,
int  i,
int  j,
int  k,
int  l 
)
inline

References k.

◆ operator()()

real_tensor BoysLocalization::operator() ( World world,
const vector_real_function_3d mo,
const double  thresh = 1e-9,
const double  thetamax = 0.5,
const bool  randomize = true 
)
inline

◆ set_size()

void BoysLocalization::set_size ( unsigned int  norbs)
inline

Referenced by MiniDFT::doit().

Member Data Documentation

◆ aset

std::vector<int> BoysLocalization::aset

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