SquareFuncIntegrator Struct Reference

Provides temporary storage for compute_integral_of_square_of_basis_func. More...

#include <basisinfo.h>

List of all members.

Public Member Functions
	SquareFuncIntegrator ()
	~SquareFuncIntegrator ()
ergo_real	computeIntegralOfSquareOfBasisFunc (const IntegralInfo &integralInfo, BasisFuncStruct *basisFunc, int use_6_d_funcs)
ergo_real	getShellFactor (const IntegralInfo &integralInfo, ergo_real exponent, int shellType, int use_6_d_funcs)
Public Attributes
const int	MAX_NO_OF_PRIMS
DistributionSpecStruct *	list
DistributionSpecStruct *	productlist

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Detailed Description

Provides temporary storage for compute_integral_of_square_of_basis_func.

Stack used to be the storage but many operating systems do not like to allocate so much space for stack, particularly when many threads are present.

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Constructor & Destructor Documentation

SquareFuncIntegrator::SquareFuncIntegrator

(

)

[inline]

SquareFuncIntegrator::~SquareFuncIntegrator

(

)

[inline]

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Member Function Documentation

ergo_real SquareFuncIntegrator::computeIntegralOfSquareOfBasisFunc	(	const IntegralInfo &	integralInfo,
		BasisFuncStruct *	basisFunc,
		int	use_6_d_funcs
	)

ergo_real SquareFuncIntegrator::getShellFactor	(	const IntegralInfo &	integralInfo,
		ergo_real	exponent,
		int	shellType,
		int	use_6_d_funcs
	)

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Member Data Documentation

DistributionSpecStruct* SquareFuncIntegrator::list

const int SquareFuncIntegrator::MAX_NO_OF_PRIMS

DistributionSpecStruct* SquareFuncIntegrator::productlist

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

• source/basisset/basisinfo.h
• source/basisset/basisinfo.cc

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