DensToolKit: A comprehensive open-source package for analyzing the electron density and its derivative scalar and vector fields

Running time: Strongly dependent on the number of primitives used for approximating the wavefunction (∼N2p). It also depends on the evaluated number of points and type of field. Wavefunctions comprised of 1,500 primitives may take several hours to complete, while small molecules described by two or three hundred primitives take a few seconds. Typical running times are at least as fast as the times taken by some commercial or freely available codes. In many cases, the programs perform the computations with a speed-up of 2× (with respect to other available programs), and in some cases 10× speed-ups or more can be attained.