The conformational sensitivity of iterative stockholder partitioning schemes

► A new atoms-in-molecules scheme is proposed: Gaussian ISA. ► The robustness of GISA is compared with two existing schemes Hirshfeld-I and ISA. ► Hirshfeld-I is found to be superior in terms of (conformational) robustness. ► The robustness of an AIM scheme correlates with the locality of the AIM variations.