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
DistributionSpecStructlist
DistributionSpecStructproductlist

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.


Constructor & Destructor Documentation

SquareFuncIntegrator::SquareFuncIntegrator (  )  [inline]

References list, MAX_NO_OF_PRIMS, and productlist.

SquareFuncIntegrator::~SquareFuncIntegrator (  )  [inline]

References list, and productlist.


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 
)

Member Data Documentation

Referenced by SquareFuncIntegrator().


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

Generated on 10 Jul 2018 for ergo by  doxygen 1.6.1