ergo
|
#include <memory.h>
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include "basis_func_extent.h"
#include "output.h"
#include "integrals_general.h"
#include "pi.h"
#include "integrals_2el_single.h"
#include "exponent_list.h"
Functions | |
static ergo_real | get_M (const IntegralInfo *integralInfo, const BasisInfoStruct &basisInfo) |
static int | compute_extent_for_all_basis_funcs_core (const BasisInfoStruct &basisInfo, ergo_real *basisFuncExtentList, ergo_real threshold, ExponentList exponentList, ergo_real M, ergo_real maxAbsDensMatElement) |
int | compute_extent_for_all_basis_funcs_2el (const IntegralInfo *integralInfo, const BasisInfoStruct &basisInfo, ergo_real *basisFuncExtentList, ergo_real threshold, ergo_real maxAbsDensMatElement) |
int compute_extent_for_all_basis_funcs_2el | ( | const IntegralInfo * | integralInfo, |
const BasisInfoStruct & | basisInfo, | ||
ergo_real * | basisFuncExtentList, | ||
ergo_real | threshold, | ||
ergo_real | maxAbsDensMatElement | ||
) |
static int compute_extent_for_all_basis_funcs_core | ( | const BasisInfoStruct & | basisInfo, |
ergo_real * | basisFuncExtentList, | ||
ergo_real | threshold, | ||
ExponentList | exponentList, | ||
ergo_real | M, | ||
ergo_real | maxAbsDensMatElement | ||
) | [static] |
References pi, BasisInfoStruct::noOfBasisFuncs, BasisInfoStruct::basisFuncList, BasisFuncStruct_::noOfSimplePrimitives, BasisFuncStruct_::simplePrimitiveIndex, BasisInfoStruct::simplePrimitiveList, DistributionSpecStruct_::exponent, DistributionSpecStruct_::coeff, ExponentList::noOfExponents, ExponentList::list, unique_exponent_struct::exponent, unique_exponent_struct::maxAbsCoeff, and A.
Referenced by compute_extent_for_all_basis_funcs_2el().
static ergo_real get_M | ( | const IntegralInfo * | integralInfo, |
const BasisInfoStruct & | basisInfo | ||
) | [static] |