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Description
Psi4 added the ability to pull CCSD amplitudes directly from the Python layer:
Ne = psi4.geometry("""
0 1
Ne 0.0 0.0 0.0
symmetry c1
""")
psi4.set_options({'basis': 'cc-pvdz', 'freeze_core': 'false'})
_, wfn = psi4.energy('ccsd', return_wfn=True, molecule=Ne)
amps = wfn.get_amplitudes()
TIjAb = amps['tIjAb'].to_array()
TIA = amps['tIA'].to_array()Full PR here. #39 reminded me of this and may simplify the T2 acquisition procedure greatly.
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