[cclib-users] orbital occupation numbers

[Axel S. <axe...@go...>]

Hi,

I'm one of the developers of orbkit (http://sourceforge.net/projects/orbkit).
So far, we are using our own Molden, GAMESS US, Gaussian
log-file/fchk-file, and WFN-file parser, but we thought about (also) using
cclib to be able to read all the file formats that you support.

However, we need orbital occupation numbers (like those of MCSCF orbitals
or of natural orbitals).

Is this the data that is stored in the variable <nocoeffs> in the
development version? If so, will it be available for any other than the
GAMESS and Gaussian parsers anytime soon? If not, is this feature planned
to be included?

Cheers
Axel