With the Gaussian quantum chemistry program, I usually generate formatted checkpoint files (.fchk) that I then use to perform different atom-in-molecule analyses. I am currently facing the need of using Molpro as quantum chemistry program since it has specific features that I want to exploit. The problem is that I am not sure how to obtain a proper file (analogue to the .fchk one) from which I can run my atom-in-molecule analyses. I expect that the generation of "cube" files may be a solution but I fear that this may increase the noise in the AIM analysis. Can you give me any advice?
PS: The AIM partitioning is done with HORTON in case this may give you more info