madness::OperatorInfo Struct Reference

#include <operatorinfo.h>

Public Member Functions
	OperatorInfo ()=default
template<std::size_t NDIM>
	OperatorInfo (double mu, double lo, double thresh, OpType type, std::optional< bool > truncate, const std::array< KernelRange, NDIM > &range)
	OperatorInfo (double mu, double lo, double thresh, OpType type, std::optional< bool > truncate={}, std::vector< KernelRange > range=std::vector< KernelRange >(6))
template<std::size_t NDIM>
std::array< KernelRange, NDIM >	range_as_array () const

Public Attributes
bool	debug =false
double	hi =-1.0
double	lo =1.e-5
double	mu =0.0
	some introspection
std::vector< KernelRange >	range = std::vector<KernelRange>(6)
double	thresh =1.e-4
std::optional< bool >	truncate_lowexp_gaussians
OpType	type =OT_UNDEFINED
	introspection

Constructor & Destructor Documentation

OperatorInfo() [1/3]

madness::OperatorInfo::OperatorInfo ( )

default

OperatorInfo() [2/3]

madness::OperatorInfo::OperatorInfo ( double  mu, double  lo, double  thresh, OpType  type, std::optional< bool >  truncate = {}, std::vector< KernelRange >  range = std::vector<KernelRange>(6)  )

inline

OperatorInfo() [3/3]

template<std::size_t NDIM>

madness::OperatorInfo::OperatorInfo ( double  mu, double  lo, double  thresh, OpType  type, std::optional< bool >  truncate, const std::array< KernelRange, NDIM > &  range  )

inline

Member Function Documentation

range_as_array()

template<std::size_t NDIM>

std::array< KernelRange, NDIM > madness::OperatorInfo::range_as_array ( ) const

inline

References MADNESS_ASSERT, NDIM, and range.

Member Data Documentation

debug

bool madness::OperatorInfo::debug =false

Referenced by madness::GFit< T, NDIM >::GFit().

hi

double madness::OperatorInfo::hi =-1.0

Referenced by madness::GeneralTwoElectronInterface< T, NDIM >::GeneralTwoElectronInterface(), madness::GFit< T, NDIM >::GFit(), and madness::SeparatedConvolution< Q, NDIM >::make_coeff_for_operator().

lo

double madness::OperatorInfo::lo =1.e-5

Referenced by madness::GFit< T, NDIM >::GFit(), and madness::TwoElectronFactory< T, NDIM >::dcut().

mu

double madness::OperatorInfo::mu =0.0

some introspection

Referenced by madness::GFit< T, NDIM >::GFit(), madness::TwoElectronFactory< T, NDIM >::TwoElectronFactory(), madness::SeparatedConvolution< Q, NDIM >::combine_OT(), madness::SeparatedConvolution< Q, NDIM >::gamma(), madness::TwoElectronFactory< T, NDIM >::gamma(), and madness::SeparatedConvolution< Q, NDIM >::mu().

range

std::vector<KernelRange> madness::OperatorInfo::range = std::vector<KernelRange>(6)

Referenced by madness::SeparatedConvolution< Q, NDIM >::SeparatedConvolution(), and range_as_array().

thresh

double madness::OperatorInfo::thresh =1.e-4

Referenced by madness::GeneralTwoElectronInterface< T, NDIM >::GeneralTwoElectronInterface(), madness::GFit< T, NDIM >::GFit(), madness::TwoElectronFactory< T, NDIM >::TwoElectronFactory(), and madness::TwoElectronFactory< T, NDIM >::thresh().

truncate_lowexp_gaussians

std::optional<bool> madness::OperatorInfo::truncate_lowexp_gaussians

Referenced by madness::SeparatedConvolution< Q, NDIM >::SeparatedConvolution(), and madness::SeparatedConvolution< Q, NDIM >::make_coeff_for_operator().

type

OpType madness::OperatorInfo::type =OT_UNDEFINED

introspection

Referenced by madness::GFit< T, NDIM >::GFit(), madness::SeparatedConvolution< Q, NDIM >::SeparatedConvolution(), madness::TwoElectronFactory< T, NDIM >::TwoElectronFactory(), madness::TwoElectronFactory< T, NDIM >::BSH(), madness::SeparatedConvolution< Q, NDIM >::combine_OT(), madness::TwoElectronFactory< T, NDIM >::f12(), and madness::TwoElectronFactory< T, NDIM >::slater().

---

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

• operatorinfo.h