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176 contributions in the last year

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Contribution activity

August 2019

ffangliu has no activity yet for this period.

July 2019

Created an issue in psi4/psi4 that received 3 comments

psi4 CCSD(T) D1/D2 diagnostics not reported for open shell case

I use the following block of code to do CCSD(T) calculations psi4_atom_task = qcelemental.models.ResultInput ( molecule= mol, driver="energy", mode…

3 comments

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