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Hi,
I read in the documentation for the COSMO solvation model that "Known problems include that the code does not work with spherical basis functions.", but I cannot find anything regarding this for the SMD.
Is this also the case for SMD?
(i.e. Dunning basis sets cannot be used?)
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Francesca
Edoardo Aprà
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Feb 28, 2022, 2:51:14 PM2/28/22
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Both COSMO and SMD should work for spherical basis set.
The sentence "Known problems include that the code does not work with spherical basis functions" has been deleted from the documentation since the bug preventing COSMO to work with spherical basis set was fixed several years ago.