I have a question regarding the KIM_API_get_neigh function. The documentation states that the last argument (double** rij) is set to NULL except when using the NBC method NEIGH_RVEC_F. In my code I rely on that to test if the rij array is available. This doesn't work when using the KIM pair_style in LAMMPS (version 4 Dec 2012). LAMMPS returns a pointer to some address although it uses NEIGH_PURE_F. The array is filled with zeros in my case (probably uninitialized memory?).
The KIM API is version 1.1.1.
Is this a bug in KIM or LAMMPS, or should we not rely on rij being NULL?
Thanks in advance,