How to parse mixing basis sets in python input

Dear All,

I know this might be a very simple question, but I could not find an example in PSIAPI tutorial (http://www.psicode.org/psi4manual/master/psiapi.html). For user defined mixing basis sets like below:

basis mybas{
assign 6-31+G**
assign Pd lanl2dz
}
set basis mybas

How do we parse that blended basis sets inside an ipython notebook with psi4.set_options function?

Thanks,

Hi,

you can do that e.g. with http://psicode.org/psi4manual/master/api/psi4.driver.basis_helper.html#psi4.driver.basis_helper
And then see the PSIAPI mints2 and mints9 tests here:
https://github.com/psi4/psi4/tree/master/tests/python

You can also compare them to the psithon mints2/9 tests.

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