#include <basisinfo.h>
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 |
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.
SquareFuncIntegrator::SquareFuncIntegrator | ( | ) | [inline] |
SquareFuncIntegrator::~SquareFuncIntegrator | ( | ) | [inline] |
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 | |||
) |
const int SquareFuncIntegrator::MAX_NO_OF_PRIMS |