psi4 / psi4numpy

Combining Psi4 and Numpy for education and development.
BSD 3-Clause "New" or "Revised" License
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added spin adapted UMP2 to psi4numpy #90

Closed mdav2 closed 4 years ago

mdav2 commented 4 years ago

Description

Adds an example spin adapted UMP2 code to psi4numpy. I ran into a few glitches learning how to spin adapt MP2 and CCSD, and would have liked to have a reference code to compare notes against. So, this PR is intended to fill that gap.

What are your new additions? Please provide a brief list.

codecov-io commented 4 years ago

Codecov Report

Merging #90 into master will not change coverage. The diff coverage is n/a.

mdav2 commented 4 years ago

Can I get a second review/merge if it all looks good?

dgasmith commented 4 years ago

Thanks for the new tutorial! Everything looks fantastic.