psi4 / psi4numpy

Combining Psi4 and Numpy for education and development.

BSD 3-Clause "New" or "Revised" License

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Closed konpat closed 6 years ago

konpat commented 6 years ago

A simple fix in the code for the SAPT orbital energies. The old code sometimes picked energies from the wrong monomer in the open-shell case.

codecov-io commented 6 years ago

Codecov Report

Merging #47 into master will decrease coverage by 0.02%. The diff coverage is 60%.

konpat commented 6 years ago

Sure, why not? Give me a couple minutes.

dgasmith commented 6 years ago

Great! Thanks.