basis_func_extent_1el.cc File Reference

#include <stdio.h>
#include <stdlib.h>
#include <math.h>
#include "basis_func_extent_1el.h"
#include "output.h"
#include "pi.h"
#include "exponent_list.h"

Functions
int	compute_extent_for_all_basis_funcs_1el (const BasisInfoStruct &basisInfo, ergo_real *basisFuncExtentList, ergo_real maxCharge, ergo_real threshold)

Function Documentation

int compute_extent_for_all_basis_funcs_1el	(	const BasisInfoStruct &	basisInfo,
		ergo_real *	basisFuncExtentList,
		ergo_real	maxCharge,
		ergo_real	threshold
	)

References BasisInfoStruct::basisFuncList, DistributionSpecStruct_::coeff, do_output(), unique_exponent_struct::exponent, DistributionSpecStruct_::exponent, ExponentList::get_list_of_available_exponents(), ExponentList::list, LOG_AREA_INTEGRALS, LOG_CAT_ERROR, unique_exponent_struct::maxAbsCoeff, BasisInfoStruct::noOfBasisFuncs, ExponentList::noOfExponents, BasisFuncStruct_::noOfSimplePrimitives, pi, BasisFuncStruct_::simplePrimitiveIndex, and BasisInfoStruct::simplePrimitiveList.

Referenced by get_basis_func_pair_list_1el().