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