I want to write some basis quantum chemistry program, e.g., HF-SCF. Now, I want to Psi4 as my Python module and extract electronic integral from it. But I don’t to how to get it. Can you provide one basic Python script for me? Thanks a lot.
Ok, I have know how to get it. It is very convenient to use psi4numpy.
Glad to hear you have it solved.
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