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)

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Function Documentation

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

References ExponentList::get_list_of_available_exponents(), do_output(), LOG_CAT_ERROR, LOG_AREA_INTEGRALS, 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 pi.

Referenced by get_basis_func_pair_list_1el().