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MolSSI-Education / QM_2017_SSS_Team3

BSD 3-Clause "New" or "Revised" License
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Adds canonical MP2 #68

Closed hongzhouye closed 7 years ago

hongzhouye commented 7 years ago

Now DF for SCF is separated from MP2. We achieved this by setting two keywords in scf_params, i.e.

g3 = scf_params['g3']   # DF 3-tensor
g4 = scf_params['g4']   # 4-tensor