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theochem / ModelHamiltonian

Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
https://modelh.qcdevs.org
GNU Lesser General Public License v3.0
28 stars 17 forks source link

add comput_u function #127

Closed RichRick1 closed 4 months ago

RichRick1 commented 4 months ago

Fix error with compute_U function

RichRick1 commented 4 months ago

I'm gonna merge this for now. @giovanni-br we need to fix failing tests