QuantumPackage / qp2

Quantum Package : a programming environment for wave function methods
https://quantumpackage.github.io/qp2/
GNU Affero General Public License v3.0
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add maximum overlap method in hartree fock #347

Closed antoine-marie closed 2 months ago

antoine-marie commented 2 months ago

This commit introduces the do_mom keyword in scf_utils to run maximum overlap method hartree-fock calculation.