The argparse lib in python provide a better script description and name to command line parameters required. This shall improve the usability due to a better documentation.

In real time dependent problems, with the overlap matrix introduce to improve orthogonality preservation, the algorithm display a bottleneck in treating the orbitals nonlinear part. In worst case it is possibly scaling as M^6.

Include a class data structure to analyze output data from C programs, computing some features in class initialization.

With the recently reported bug in #6 and its apparent solution in 6f5a1a8, the usage of limited sized integers seems a bit dangerous, specifically in indexing computing on configurational space. Despite the use in function signatures is nice as the documentation became more instructive for end users, inside function scope overflows may accidentally occur causing an undefined behavior, which is very dangerous.

Multi-step integrator methods may provide a larger stability region than single-forward step methods like Runge-Kutta.

Include more information about each column of data in main program output files starting with #

In a simulation using 11 particles and 7 orbitals, a segmentation fault error eventually occur. According to GDB, the problem is in computing the set_twobody_dm