accessing MOs from python
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Forum Vet
12:28:19 PM PDT - Fri, Apr 1st 2011
Not at present. The Python interface would need to be extended to enable the access.
Bert
Quote:
Mar 15th 6:09 am
Is there a way to access the converged scf vectors and the basis contraction info from a Python tasks?
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With best regards,
Grigory Shamov