It is posible to print the OPDM and TPDM from a orbital optimized MPn ?
I am greatly interested in doing QTAIM/Interacting Quantum Atoms for which I need the one and two particle density matrix, I try to locate it in the source code, but I am not sure if they are the correct OPDM and TPDM, someone knows about it ?
Looks like a set print 4 should print it out under the heading for DF-OCC. I dont see an obvious way for conventional without modifying some of the code. Perhaps @bozkaya could help out.