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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
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Pariser parr #140

Closed giovanni-br closed 2 months ago

giovanni-br commented 3 months ago

• I changed the logic of compute_u in order to one of the tutorials work; • the toml module seems not to break;