CBS error for number of arguments (Psi4 1.0.0 Driver)

Hello again,

I have ran into an error concerning the CBS keyword. Using the following input:

cbs(‘mp2’, corl_basis=‘aug-cc-pv[q5]z’, corl_scheme=corl_xtpl_helgaker_2)

I receive the following error message:

“TypeError: complete_basis_set() takes exactly 2 arguments (0 given)”.

This error message is also given if I use any of the cbs examples that are provided in the manual. Note that the calculation works if I use an older version of Psi4 (i.e. Psi4 0.4.186)

All the bests,

Sorry about that. The docs need some redirecting for the user. The cbs(...) function is powerful but complicated because of all those options. We rearranged so that users interact directly with fns like energy(), optimize(), frequency() and only indirectly though cbs(), cp(), etc.

So, your calc can be accessed through

  • energy('mp2/aug-cc-pv[q5]z')

Or, if you really like the arguments,

  • energy(cbs, corl_wfn='mp2', corl_basis='aug-cc-pv[q5]z', corl_scheme=corl_xtpl_helgaker_2).

Some more examples are at the files below.

Hello Lori - great and thanks for the info. The calculations all works now.